SCHEMBL7971670

SCHEMBL7971670

COC(=O)/C=C\C(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCC(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.53
LMNA P02545 7/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 8/20 0.47
MAPT P10636 7/20 0.47
POLB P06746 3/20 0.46
HPGD P15428 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL3633256 0.76 CA1 (0.78) LMNACA12CA1CA2CA9
SCHEMBL7680007 0.75 MAOA (0.52) GPR55CA12CA1CA2CA9
SCHEMBL20129844 0.75 ALDH1A1 (0.66) LMNAALDH1A1MAPTPOLBHPGD
SCHEMBL20129482 0.75 ALDH1A1 (0.66) LMNAALDH1A1MAPTPOLBHPGD
SCHEMBL20129016 0.75 ALDH1A1 (0.66) LMNAALDH1A1MAPTPOLBHPGD
SCHEMBL890942 0.72 GPR55 (0.60) GPR55LMNACA12CA1CA2
SCHEMBL394902 0.71 CA1 (0.59) GPR55LMNACA12CA1CA2
SCHEMBL7260455 0.71 GBA1 (0.68) GPR55LMNACA12CA1CA2
SCHEMBL20021993 0.71 ALDH1A1 (0.63) GPR55CA1CA2ALDH1A1KMT2A
SCHEMBL890656 0.71 GPR55 (0.56) GPR55LMNACA12CA1CA2

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-2001064642-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed