SCHEMBL9733238

SCHEMBL9733238

COc1cc2c(C=O)cn(Cc3ccccc3)c2cc1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
HTT P42858 4/20 0.52
LMNA P02545 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
KMT2A Q03164 6/20 0.48
MAPT P10636 5/20 0.48
KDM4E B2RXH2 2/20 0.48
NTSR1 P30989 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
TP53 P04637 2/20 0.47
MEN1 O00255 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
P2RX7 Q99572 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL9732936 0.90 MAPT (0.54) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL9732943 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL9732575 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL9584018 0.79 PLA2G2A (0.61) ALDH1A1LMNA
SCHEMBL9732159 0.77 KDM4E (0.48) ALDH1A1HTTLMNATDP1KMT2A
SCHEMBL9732157 0.75 PLA2G2A (0.49) ALDH1A1SMN1; SMN2HTTLMNAKMT2A
SCHEMBL9733084 0.73 P2RX7 (0.52) ALDH1A1HTTLMNATDP1KMT2A
SCHEMBL29377589 0.73 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL1418988 0.73 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL28480601 0.73 TDP1 (0.58) ALDH1A1SMN1; SMN2HTTLMNATDP1

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-1992007829-A1 INDOLE-3-METHANAMINES USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1992-05-14 WO disclosed