SCHEMBL31363285

SCHEMBL31363285

CCOC(=O)c1cc(Br)cc2c(C=O)cnn12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 4/20 0.37
IDO1 P14902 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ELANE P08246 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL31363537 0.86 MAPT (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22438504 0.72 KDM4E (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31364057 0.72 PDE4A (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20920785 0.68 PDE3B (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3908929 0.68 MAPT (0.40) ALDH1A1CYP1A2CYP2C19NPC1RAB9A
SCHEMBL26146309 0.66 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23115813 0.66 SMN1; SMN2 (0.45) ALDH1A1CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL14799952 0.65 RAB9A (0.49) ALDH1A1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL20923359 0.65 FNTA (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15300028 0.65 LMNA (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed