SCHEMBL31364057

SCHEMBL31364057

CCOC(=O)c1cc(Br)cc2ccnn12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.39
IDO1 P14902 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ELANE P08246 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TARBP2 Q15633 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRB2 P47870 1/20 0.37
PIK3CA P42336 1/20 0.36

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
SCHEMBL31363420 0.83 PDE4A (0.31) PDE4AMAPT
SCHEMBL30520974 0.74 PDE4A (0.52) PDE4AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31258497 0.74 CA12 (0.46) PDE4AALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL31258494 0.74 CA12 (0.46) PDE4AALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL29786151 0.72 PDE4A (0.53) PDE4AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31363285 0.72 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTIDO1NPC1
SCHEMBL8977944 0.71 PDE4A (0.43) PDE4AALDH1A1RAB9AMEN1KMT2A
SCHEMBL14656701 0.71 EGLN1 (0.53) PDE4AALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL22577794 0.71 ALDH1A1 (0.42) PDE4AALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL17781174 0.71 PDE4A (0.48) PDE4AALDH1A1MAPTIDO1NPC1

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