SCHEMBL9196

SCHEMBL9196

[c]1cc2ccccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
ACHE P22303 1/20 0.36
CYP2A6 P11509 2/20 0.35
ALOX12 P18054 1/20 0.35
CYP1A2 P05177 2/20 0.34
PDPK1 O15530 1/20 0.34
NCF1 P14598 1/20 0.31
NOS2 P35228 1/20 0.31
BACE1 P56817 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
HSP90AA1 P07900 1/20 0.31
IDO1 P14902 1/20 0.31
CDK2 P24941 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GPR3 P46089 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL17511912 0.83 ALDH1A1 (0.42) MAPTALDH1A1GLAHPGDACHE
SCHEMBL3627798 0.80
SCHEMBL17511869 0.75 CYP2A6 (0.50) MAPTALDH1A1CYP2A6CYP1A2IDO1
SCHEMBL7470262 0.75 ALDH1A1 (0.50) MAPTALDH1A1CYP2A6CYP1A2KDM4E
SCHEMBL210569 0.73 PRKCZ (0.33) MAPTCYP1A2KDM4E
SCHEMBL455076 0.73
SCHEMBL448776 0.73
SCHEMBL276610 0.73 CYP19A1 (0.34) MAPTCYP1A2KDM4E
SCHEMBL207996 0.70 BACE1 (0.42) MAPTALDH1A1CYP2A6CYP1A2BACE1
SCHEMBL209443 0.70 CYP2A6 (0.41) MAPTALDH1A1CYP2A6BACE1KDM4E

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 14109 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208927-A1 WNT SIGNALING PATHWAY INHIBITORS FOR TREATMENTS OF DISEASE UNIVERSITY OF MARYLAND, BALTIMORE 2024-06-27 US claimed
US-20240201205-A1 METHOD FOR DETECTING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US claimed
US-20240197682-A1 METHOD FOR TREATING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US claimed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US claimed
WO-2024108147-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO claimed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN claimed
CN-117813306-A Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use 上海科州药物研发有限公司 2024-04-02 CN claimed
WO-2024059845-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-03-21 WO claimed
WO-2024046370-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITORS, AND PREPARATION AND THERAPEUTIC USE THEREOF 上海科州药物研发有限公司 2024-03-07 WO claimed
WO-2024040497-A1 ANTIVIRAL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 清华大学 2024-02-29 WO claimed
US-4871658-A CONTAINING A HEYEROCYCLIC SUBSTITUTED TETRAZOLE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1989-10-03 US claimed
US-4757071-A 1,4-dihydropyridine derivatives, and pharmaceutical compositions containing same, useful for treating cardiovascular diseases NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-07-12 US claimed
US-4692529-A Method for synthesizing a magenta coupler by selectively etherifying 4-hydroxy-5-pyrazolone KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1987-09-08 US claimed
EP-0184841-A2 1,4-Dihydropyridine derivatives, processes for their preparation and pharmaceutical compositions containing same NISSHIN FLOUR MILLING CO., LTD. (JP) 1986-06-18 EP claimed
EP-0118528-A4 5-(BICYCLIC NITROGEN-HETEROARYL)PYRID-2-ONES AND THEIR USE FOR INCREASING CARDIAC CONTRACTILITY. RORER INTERNAT OVERSEAS INC (US) 1985-09-09 EP claimed
EP-0118528-A1 5-(BICYCLIC NITROGEN-HETEROARYL)PYRID-2-ONES AND THEIR USE FOR INCREASING CARDIAC CONTRACTILITY RORER INTERNATIONAL (OVERSEAS) INC. (US) 1984-09-19 EP claimed
WO-1984000756-A1 5 (BICYCLIC NITROGEN-HETEROARYL)PYRID-2-ONES AND THEIR USE FOR INCREASING CARDIAC CONTRACTILLITY RORER INT OVERSEAS (US) 1984-03-01 WO claimed
EP-0014402-B1 NOVEL 20-0-ACYLMAYTANSINOIDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Chemical Industries, Ltd. (JP) 1983-07-20 EP claimed
US-4307016-A FUNGICIDES, PROTOZOACIDES OR ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-22 US claimed
US-4294757-A BLEACHING CELLULOSE FIBERS AND ADDITION OF ALKALI METAL POLYPHOSPHATES AND ALKALI METAL DIETHYLENETRIAMINE PENTA(METHYLENE PHOSPHONAT) TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1981-10-13 US claimed