SCHEMBL31491014

SCHEMBL31491014

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C=O)c(Cl)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
ACLY P53396 1/20 0.40
APLNR P35414 2/20 0.40
PIK3CA P42336 1/20 0.39
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL31491021 0.88 APLNR (0.42) PIK3CDNPSR1ACLYAPLNRPIK3CA
SCHEMBL30759027 0.87 PIK3CD (0.41) PIK3CDNPSR1ACLYAPLNRPIK3CA
SCHEMBL31753420 0.87 PIK3CD (0.41) PIK3CDNPSR1ACLYAPLNRPIK3CA
SCHEMBL30708395 0.83 PIK3CD (0.43) PIK3CDNPSR1ACLYAPLNRPIK3CA
SCHEMBL23974786 0.81 PIK3CD (0.42) PIK3CDNPSR1ACLYAPLNRPIK3CA
SCHEMBL22029147 0.81 PIK3CD (0.42) PIK3CDNPSR1ACLYAPLNRPIK3CA
SCHEMBL30826844 0.81 PIK3CD (0.42) PIK3CDNPSR1ACLYAPLNRPIK3CA
SCHEMBL22120099 0.79 RAB9A (0.45) PIK3CDNPSR1APLNRPIK3CALMNA
SCHEMBL21542641 0.79 DCTPP1 (0.47) PIK3CDNPSR1APLNRPIK3CAALDH1A1
SCHEMBL15231880 0.79 LMNA (0.42) PIK3CDNPSR1APLNRPIK3CALMNA

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-2025049274-A2 TETRACYCLIC DERIVATIVES, COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed