SCHEMBL9400419

SCHEMBL9400419

CC(=O)NC1(Nc2ccc(N(C)C)cc2)C(=O)N(c2ccccc2)N=C1NC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.43
TP53 P04637 3/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 6/20 0.39
KDM4E B2RXH2 2/20 0.39
NAMPT P43490 2/20 0.39
P4HTM Q9NXG6 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
RAB9A P51151 3/20 0.38
MCL1 Q07820 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL7761024 0.90 MAPT (0.43) TP53NPC1LMNAALDH1A1NPSR1
Dimethylamine SCHEMBL9400427 0.89 MEN1 (0.39) KCNK3NPC1LMNAALDH1A1MAPT
SCHEMBL7760624 0.86 MAPT (0.36) TP53NPC1LMNAALDH1A1NPSR1
SCHEMBL7759853 0.86 MEN1 (0.41) NPC1LMNAALDH1A1NPSR1MAPT
SCHEMBL9400423 0.86 MAPT (0.42) TP53NPC1LMNAALDH1A1NPSR1
SCHEMBL9400401 0.85 MAPT (0.44) TP53NPC1LMNAALDH1A1NPSR1
Diethylamine SCHEMBL7761030 0.85 MEN1 (0.36) KCNK3NPC1LMNAALDH1A1MAPT
SCHEMBL9400504 0.85 MEN1 (0.42) TP53NPC1LMNAALDH1A1NPSR1
SCHEMBL7760672 0.85 MEN1 (0.44) NPC1LMNAALDH1A1NPSR1MAPT
SCHEMBL9400379 0.85 MAPT (0.45) TP53NPC1LMNAALDH1A1NPSR1

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
US-5372917-A Excellent color forming property, storage stability and recorded image preservability; pyrazolone derivatives KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-12-13 US disclosed