SCHEMBL31363537

SCHEMBL31363537

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 5/20 0.35
ELANE P08246 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL31363285 0.86 ALDH1A1 (0.39) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22438504 0.69 KDM4E (0.50) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31364057 0.69 PDE4A (0.41) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL23501603 0.65 CYP2C9 (0.47) NPC1RAB9AALDH1A1KMT2ALMNA
SCHEMBL3908929 0.65 MAPT (0.40) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL19697629 0.64 ALDH1A1 (0.42) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL26146309 0.64 ALDH1A1 (0.46) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31405471 0.63 CYP2C9 (0.44) NPC1RAB9AALDH1A1KMT2ALMNA
SCHEMBL23115813 0.63 SMN1; SMN2 (0.45) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13633524 0.63 GAA (0.54) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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