SCHEMBL9732159

SCHEMBL9732159

COc1cc2c(CNCc3ccccc3OC)cn(Cc3ccccc3)c2cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
KMT2A Q03164 7/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
NTSR1 P30989 2/20 0.48
GPR55 Q9Y2T6 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 5/20 0.46
P2RX7 Q99572 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
PLA2G2A P14555 1/20 0.44
ICMT O60725 1/20 0.44
HTR6 P50406 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL9733084 0.89 P2RX7 (0.52) KDM4EKMT2AALDH1A1MAPTNTSR1
SCHEMBL9732157 0.89 PLA2G2A (0.49) KDM4EKMT2AALDH1A1MAPTNTSR1
SCHEMBL9733077 0.85 ICMT (0.48) KDM4EKMT2AALDH1A1MAPTNTSR1
SCHEMBL9731975 0.81 P2RX7 (0.54) KDM4EKMT2AALDH1A1MAPTNTSR1
SCHEMBL9734729 0.81 PLA2G2A (0.43) KDM4EKMT2AALDH1A1MAPTNTSR1
SCHEMBL9733317 0.79 P2RX7 (0.52) KDM4EKMT2AALDH1A1MAPTNTSR1
SCHEMBL9733238 0.77 ALDH1A1 (0.52) KDM4EKMT2AALDH1A1MAPTNTSR1
SCHEMBL9731969 0.77 ICMT (0.50) KDM4EKMT2AALDH1A1MAPTNTSR1
SCHEMBL9733154 0.77 PLA2G2A (0.50) KDM4EALDH1A1P2RX7PLA2G2AHTR6
SCHEMBL9734394 0.76 MAPT (0.47) MAPTLMNAP2RX7PLA2G2AICMT

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