SCHEMBL9734729

SCHEMBL9734729

COc1cc2c(CNC(c3ccccc3)C(F)(F)F)cn(Cc3ccccc3)c2cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
NTSR1 P30989 2/20 0.42
GPR55 Q9Y2T6 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
P2RX7 Q99572 4/20 0.39
TP53 P04637 2/20 0.39
ICMT O60725 2/20 0.39
HTR6 P50406 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
CYSLTR2 Q9NS75 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
SCHEMBL9732159 0.81 KDM4E (0.48) PLA2G2AKDM4EALDH1A1KMT2AMAPT
SCHEMBL9733084 0.80 P2RX7 (0.52) PLA2G2AKDM4EALDH1A1KMT2AMAPT
SCHEMBL9733077 0.79 ICMT (0.48) PLA2G2AKDM4EALDH1A1KMT2AMAPT
SCHEMBL9732157 0.78 PLA2G2A (0.49) PLA2G2AKDM4EALDH1A1KMT2AMAPT
SCHEMBL9731975 0.73 P2RX7 (0.54) PLA2G2AKDM4EALDH1A1KMT2AMAPT
SCHEMBL9733238 0.71 ALDH1A1 (0.52) KDM4EALDH1A1KMT2AMAPTNTSR1
SCHEMBL9731969 0.71 ICMT (0.50) PLA2G2AKDM4EALDH1A1KMT2AMAPT
SCHEMBL9733384 0.71 PLA2G2A (0.55) PLA2G2AALDH1A1LMNAICMTHTR6
SCHEMBL9733317 0.71 P2RX7 (0.52) PLA2G2AKDM4EALDH1A1KMT2AMAPT
SCHEMBL9732883 0.70 PLA2G2A (0.62) PLA2G2AALDH1A1LMNAHTR6MTNR1A

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 claimed