SCHEMBL9400364

SCHEMBL9400364

CCN(CC)c1ccc(NC2(NC(C)=O)C(=O)N(c3ccccc3)N=C2NC(=O)c2ccc(OCCOc3ccc(OC)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 2/20 0.41
MAPT P10636 5/20 0.40
RAB9A P51151 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
MCL1 Q07820 1/20 0.40
NOX1 Q9Y5S8 1/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL9400491 0.96 MAPT (0.41) MCHR1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL9400452 0.96 NPC1 (0.42) ALDH1A1NPC1KDM4ECYP1A2MAPT
SCHEMBL9400362 0.94 MAPT (0.41) MCHR1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL9400440 0.93 NPC1 (0.44) ALDH1A1NPC1KDM4ECYP1A2MAPT
SCHEMBL9400358 0.92 MAPT (0.39) MCHR1ALDH1A1NPC1KDM4ECYP1A2
SCHEMBL9400392 0.89 MAPT (0.37) MCHR1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL7761024 0.89 MAPT (0.43) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL7759853 0.88 MEN1 (0.41) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL9400443 0.87 MAPT (0.38) MCHR1ALDH1A1NPC1KDM4EMAPT
SCHEMBL9400372 0.86 MAPT (0.38) MCHR1ALDH1A1NPC1KDM4EMAPT

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