SCHEMBL9728446

SCHEMBL9728446

COc1cc(NC(=S)NC(=O)c2ccccc2)c(C(N)=O)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.63
KDM4E B2RXH2 4/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 8/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 3/20 0.58
HPGD P15428 2/20 0.58
ALOX12 P18054 2/20 0.58
MEN1 O00255 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
SMO Q99835 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL874173 0.87 KDM4E (0.77) KDM4EMAPK1HSD17B10ALDH1A1KMT2A
SCHEMBL9728550 0.82 KDM4E (0.56) EPHX1KDM4EMAPK1ALDH1A1KMT2A
SCHEMBL9728096 0.80 EPHX1 (0.66) EPHX1KDM4EALDH1A1KMT2AMAPT
SCHEMBL11492739 0.80 SMO (0.67) EPHX1ALDH1A1MAPTHPGDALOX12
SCHEMBL9728074 0.79 ALDH1A1 (0.70) EPHX1KDM4EALDH1A1KMT2AMAPT
SCHEMBL10221631 0.78 KDM4E (0.63) KDM4EMAPK1HSD17B10ALDH1A1KMT2A
SCHEMBL16119683 0.78 EPHX1 (0.81) EPHX1KDM4EALDH1A1KMT2AMAPT
SCHEMBL7479676 0.77 KDM4E (0.65) KDM4EMAPK1HSD17B10ALDH1A1KMT2A
SCHEMBL20993621 0.77 KDM4E (0.51) KDM4EMAPK1HSD17B10ALDH1A1KMT2A
SCHEMBL9728350 0.77 ALDH1A1 (0.70) KDM4EALDH1A1KMT2AMAPTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5001157-A Substituted N-[[2-(aminocarbonyl)phenylamino]thioxomethyl]benzamides AMERICAN CYANAMID COMPANY (US) 1991-03-19 US claimed
US-5084457-A Cognition activators and nervous system disorders AMERICAN CYANAMID COMPANY (US) 1992-01-28 US disclosed
US-5001157-A Substituted N-[[2-(aminocarbonyl)phenylamino]thioxomethyl]benzamides AMERICAN CYANAMID COMPANY (US) 1991-03-19 US disclosed