SCHEMBL58112

SCHEMBL58112

Oc1nccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.56
CYP2A6 P11509 2/20 0.56
F12 P00748 1/20 0.56
NCF1 P14598 1/20 0.56
NOS3 P29474 1/20 0.56
NOS1 P29475 1/20 0.56
NOS2 P35228 1/20 0.56
BACE1 P56817 1/20 0.56
PLG P00747 1/20 0.50
LMNA P02545 2/20 0.48
CFTR P13569 1/20 0.48
GOPC Q9HD26 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL27487030 0.98 PLAU (0.54) PLAUCYP2A6F12NCF1NOS3
SCHEMBL20787979 0.98 PLAU (0.54) PLAUCYP2A6F12NCF1NOS3
Hydrochloric Acid SCHEMBL28313520 0.96 PLAU (0.52) PLAUCYP2A6F12NCF1NOS3
Pyrogallol SCHEMBL27753328 0.88 CYP1A2 (0.52) PLAUCYP2A6F12NCF1NOS3
Quinoline SCHEMBL28159259 0.87 ALDH1A1 (0.61) PLAUCYP2A6F12NCF1NOS3
SCHEMBL13863867 0.83 CYP3A4 (0.61) PLAUCYP2A6F12NCF1NOS3
SCHEMBL8346122 0.83 PLAU (0.49) PLAUCYP2A6F12NCF1NOS3
SCHEMBL27757450 0.82 PLAU (0.41) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3973736 0.81 PARP1 (0.66) PLAUCYP2A6F12NCF1NOS3
SCHEMBL31388387 0.80 PLAU (0.41) PLAUCYP2A6F12NCF1NOS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 5262 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4592399-B1 COMPOSITIONS, KITS AND METHODS FOR ISOLATING TARGET POLYNUCLEOTIDES DNAE DIAGNOSTICS LTD (GB) 2026-03-11 EP claimed
EP-4611899-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE Petra Pharma Corporation (US) 2025-09-10 EP claimed
WO-2025149479-A1 SYNTHESIS OF MODIFIED NUCLEOSIDE TRIPHOSPHATES ROCHE DIAGNOSTICS GMBH (DE) 2025-07-17 WO claimed
WO-2025021115-A1 POLYSUBSTITUTED PYRROLIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海闻耐医药科技有限公司 2025-01-30 WO claimed
CN-119059964-A Novel N-CF3 imide nitrogen heterocyclic compound and preparation method thereof 浙江大学衢州研究院 2024-12-03 CN claimed
US-20240199701-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-06-20 US claimed
CN-118159549-A Immunomodulators 百时美施贵宝公司 2024-06-07 CN claimed
US-20240182460-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION 2024-06-06 US claimed
WO-2024097172-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION (US) 2024-05-10 WO claimed
EP-4090768-B1 COMPOSITIONS, KITS AND METHODS FOR ISOLATING TARGET POLYNUCLEOTIDES DNAE DIAGNOSTICS LTD (GB) 2024-03-13 EP claimed
EP-0113910-B1 ISOCARBOSTYRIL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-10-11 EP claimed
EP-0165110-B1 OPTICALLY ACTIVE ISOCARBOSTYRIL DERIVATIVES AND A METHOD OF PREPARING THE SAME NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-12-28 EP claimed
EP-0073875-B1 AZO DYESTUFFS, PROCESS FOR THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1988-09-07 EP claimed
EP-0252721-A1 4-Nitrogen substituted isoquinolinol compounds having cardiotonic, phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties ORTHO PHARMACEUTICAL CORPORATION (US) 1988-01-13 EP claimed
US-4659833-A FOUR OPTICAL ISOMERS OF 1-(2'-(O-METHOXYPHENYL)-1'-METHYLETHYLAMINO)-3-(4\"-ISOCARBOSTYRILOXY)-2 -PROPANOL ISOLATED BY LIQUID CHROMATOGRAPHY NISSHIN FLOUR MILLING CO., LTD. (JP) 1987-04-21 US claimed
EP-0165110-A1 Optically active isocarbostyril derivatives and a method of preparing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1985-12-18 EP claimed
EP-0113910-A1 Isocarbostyril derivatives, processes for their preparation and pharmaceutical compositions containing them NISSHIN FLOUR MILLING CO., LTD. (JP) 1984-07-25 EP claimed
US-4420308-A Process for the production of reserve effects on polyester textiles and polyester/cellulose mixed fibre textiles: discharge printing with disperse azo dye with alkyl or alkoxy carbonyl, cyand and hydroxy phenyl group CASSELLA AKTIENGESELLSCHAFT (DE) 1983-12-13 US claimed
US-4209467-A COBALT COMPLEX CATALYST DAICEL LTD. (JP) 1980-06-24 US claimed
US-4043992-A Method for preparing acylated products KYOWA HAKKO KOGYO CO., LTD. (JA) 1977-08-23 US claimed