SCHEMBL9729024

SCHEMBL9729024

Cc1cccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.80
KDM4E B2RXH2 9/20 0.80
POLB P06746 2/20 0.80
ALOX12 P18054 6/20 0.65
MAPT P10636 5/20 0.65
NPSR1 Q6W5P4 2/20 0.65
SMN1; SMN2 Q16637 6/20 0.60
LMNA P02545 4/20 0.60
HPGD P15428 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
STAT1 P42224 1/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
EPHX1 P07099 1/20 0.54
HTT P42858 2/20 0.54
HSP90AA1 P07900 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MCL1 Q07820 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL9728569 0.86 ALDH1A1 (0.74) ALDH1A1KDM4EPOLBALOX12MAPT
SCHEMBL9728074 0.85 ALDH1A1 (0.70) ALDH1A1KDM4EPOLBALOX12MAPT
SCHEMBL9728096 0.84 EPHX1 (0.66) ALDH1A1KDM4EPOLBALOX12MAPT
SCHEMBL14096553 0.82 ALDH1A1 (0.71) ALDH1A1KDM4EPOLBALOX12MAPT
SCHEMBL9818531 0.80 ALDH1A1 (0.77) ALDH1A1KDM4EPOLBALOX12MAPT
SCHEMBL3054870 0.80 ALDH1A1 (0.72) ALDH1A1KDM4EPOLBALOX12MAPT
SCHEMBL9818475 0.80 LMNA (0.56) ALDH1A1KDM4EPOLBALOX12MAPT
SCHEMBL3717813 0.80 ALDH1A1 (0.68) ALDH1A1KDM4EPOLBALOX12MAPT
SCHEMBL14096580 0.79 ALDH1A1 (0.66) ALDH1A1KDM4EPOLBALOX12MAPT
SCHEMBL9729151 0.78 KMT2A (0.61) ALDH1A1KDM4EALOX12MAPTNPSR1

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