SCHEMBL9400372

SCHEMBL9400372

CCN(CC)c1ccc(NC2(NC(C)=O)C(=O)N(c3ccccc3)N=C2NC(=O)c2ccc(OCCCCS(=O)(=O)c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.35
MCL1 Q07820 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
NOX1 Q9Y5S8 1/20 0.35
MCHR1 Q99705 1/20 0.34
CNR2 P34972 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL9400443 0.98 MAPT (0.38) MAPTTSHRTP53MAPK1HTT
SCHEMBL9400392 0.94 MAPT (0.37) MAPTTSHRTP53MAPK1KMT2A
SCHEMBL9400358 0.93 MAPT (0.39) MAPTTSHRTP53MAPK1NPC1
SCHEMBL9400438 0.93 PTGES (0.37) MAPTTSHRTP53MAPK1HTT
SCHEMBL9400371 0.92 MAPT (0.37) MAPTTSHRTP53MAPK1HTT
Diethylamine SCHEMBL9400377 0.91 NR1H4 (0.36) MAPTTP53HTTNPC1RXFP1
SCHEMBL9400350 0.91 MAPT (0.44) MAPTTSHRTP53MAPK1HTT
SCHEMBL9400352 0.90 ALDH1A1 (0.35) MAPTTSHRTP53MAPK1NPC1
SCHEMBL9400362 0.89 MAPT (0.41) MAPTTSHRMAPK1HTTKMT2A
Diethylamine SCHEMBL9400448 0.89 NR1H4 (0.36) MAPTTP53NPC1RXFP1KMT2A

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