SCHEMBL9728405

SCHEMBL9728405

CNC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1C

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.77
KDM4E B2RXH2 5/20 0.77
POLB P06746 2/20 0.77
KMT2A Q03164 6/20 0.73
MAPT P10636 5/20 0.73
ALOX12 P18054 4/20 0.73
LMNA P02545 3/20 0.64
MEN1 O00255 3/20 0.64
SMN1; SMN2 Q16637 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MAPK1 P28482 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
EPHX1 P07099 2/20 0.61
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
NPSR1 Q6W5P4 1/20 0.58
HPGD P15428 2/20 0.56
HTT P42858 1/20 0.55

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
SCHEMBL9818531 0.86 ALDH1A1 (0.77) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL9728720 0.85 ALDH1A1 (0.74) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL9818510 0.84 ALDH1A1 (0.76) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL5457277 0.81 ALDH1A1 (0.74) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL311564 0.79 HPGD (0.62) ALDH1A1POLBSMN1; SMN2L3MBTL1MAPK1
SCHEMBL29746319 0.79 HPGD (0.62) ALDH1A1POLBSMN1; SMN2L3MBTL1MAPK1
SCHEMBL5455495 0.79 ALDH1A1 (0.72) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL5456687 0.79 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL9729071 0.77 CA1 (0.59) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL13167002 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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