SCHEMBL9400352

SCHEMBL9400352

CCN(CC)c1ccc(NC2(NC(C)=O)C(=O)N(c3ccccc3)N=C2NC(=O)c2ccc(OCCCS(=O)(=O)c3cc(Cl)c(Cl)c(Cl)c3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 6/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
MCL1 Q07820 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NOX1 Q9Y5S8 1/20 0.33
NR1H4 Q96RI1 3/20 0.33
MCHR1 Q99705 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
NPC1 O15118 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL9400392 0.93 MAPT (0.37) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL9400438 0.93 PTGES (0.37) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL9400371 0.92 MAPT (0.37) ALDH1A1LMNAMEN1KMT2AMAPT
Diethylamine SCHEMBL9400356 0.92 NR1H4 (0.36) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL9400443 0.91 MAPT (0.38) ALDH1A1KMT2AMAPTTP53KDM4E
SCHEMBL9400358 0.91 MAPT (0.39) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL9400372 0.90 MAPT (0.38) ALDH1A1KMT2AMAPTTP53KDM4E
SCHEMBL9400362 0.87 MAPT (0.41) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL9400491 0.86 MAPT (0.41) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL9400350 0.86 MAPT (0.44) ALDH1A1LMNAMEN1KMT2AMAPT

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