SCHEMBL18987

SCHEMBL18987

[c]1cccc2cnccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
HTT P42858 1/20 0.36
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TNF P01375 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 0.31
PDE3B Q13370 1/20 0.31

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
SCHEMBL27606375 0.98 CYP1A2 (0.38) CYP1A2CYP3A4LMNACYP2D6CYP2C9
SCHEMBL18981 0.83 TNF (0.36) CYP1A2CYP3A4LMNACYP2D6CYP2C9
SCHEMBL17511900 0.79 CLK1 (0.40) CYP1A2CYP3A4LMNACYP2D6CYP2C9
SCHEMBL17511944 0.79 CLK1 (0.40) CYP1A2CYP3A4LMNACYP2D6CYP2C9
SCHEMBL17511936 0.75 KDM4E (0.42) CYP1A2CYP3A4LMNACYP2D6CYP2C9
SCHEMBL81524 0.73
SCHEMBL275946 0.73 LMNA (0.33) CYP1A2CYP3A4LMNACYP2D6CYP2C9
Pyridine SCHEMBL28171568 0.72 TSHR (0.38) KDM4E
SCHEMBL17511941 0.72 KDM4E (0.47) CYP1A2CYP3A4LMNACYP2D6CYP2C9
SCHEMBL199205 0.72 SIGMAR1 (0.36) CYP1A2CYP3A4LMNASIGMAR1ALDH1A1

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 18204 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4392032-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR FOR THE TREATMENT OR PREVENTION OF RENAL CYSTIC DISEASE AND CARDIORENAL SYNDROME Arena Pharmaceuticals, Inc. (US) 2024-07-03 EP claimed
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN claimed
EP-4361141-A1 PROTEIN DEGRADATION AGENT Suzhou Kintor Pharmaceuticals, Inc. (CN) 2024-05-01 EP claimed
US-20240124453-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2024-04-18 US 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
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US claimed
WO-2024040497-A1 ANTIVIRAL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 清华大学 2024-02-29 WO claimed
CN-117545749-A Protein degradation agent 苏州开拓药业股份有限公司 2024-02-09 CN claimed
WO-2024027694-A1 PROTEIN DEGRADATION AGENT 苏州开拓药业股份有限公司 2024-02-08 WO claimed
EP-0463444-A1 Dicarboxylic acid imides as herbicides BASF Aktiengesellschaft (DE) 1992-01-02 EP claimed
US-4912220-A Mixing a nitroaryl compound with an unsaturated silane under anhydrous conditions; adding a fluoride compound and an electrophilic compound E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-27 US claimed
US-4743690-A NITROARYL COMPOUND, SILANE, FLUORO ONIUM COMPOUND, BROMIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-10 US claimed
EP-0030198-B1 ISOQUINOLINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC SANTE (FR) 1983-03-02 EP claimed
EP-0030198-A1 Isoquinoline derivatives, their preparation and pharmaceutical compositions containing them RHONE-POULENC SANTE (FR) 1981-06-10 EP claimed
US-4269842-A Method for treating rhinoviral complaints RHONE-POULENC INDUSTRIES (FR) 1981-05-26 US claimed
US-4261999-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC RHONE-POULENC INDUSTRIES (FR) 1981-04-14 US claimed
US-4189480-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC RHONE-POULENC INDUSTRIES (FR) 1980-02-19 US claimed
US-4153699-A ANALGESIC, ANTIPYRETIC, ANTIINFLAMMATORY RHONE-POULENC INDUSTRIES (FR) 1979-05-08 US claimed
US-4064247-A ANALGESIC, ANTIPYRETIC RHONE-POULENC INDUSTRIES (FR) 1977-12-20 US claimed