SCHEMBL9400440

SCHEMBL9400440

CCN(CC)c1ccc(NC2(NC(C)=O)C(=O)N(c3ccc(OC)cc3)N=C2NC(=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
PKM P14618 1/20 0.41
MAPT P10636 7/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GFER P55789 1/20 0.39
KDM4E B2RXH2 3/20 0.39
CNR2 P34972 1/20 0.38
NOX1 Q9Y5S8 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
RPS6KA2 Q15349 1/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 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
SCHEMBL9400452 0.97 NPC1 (0.42) NPC1RAB9AMAPTL3MBTL1LMNA
SCHEMBL9400364 0.93 MCHR1 (0.43) NPC1RAB9AMAPTL3MBTL1LMNA
SCHEMBL7761024 0.92 MAPT (0.43) NPC1RAB9APKMMAPTL3MBTL1
SCHEMBL9400423 0.91 MAPT (0.42) NPC1RAB9APKMMAPTL3MBTL1
SCHEMBL9400504 0.90 MEN1 (0.42) NPC1RAB9APKMMAPTL3MBTL1
Diethylamine SCHEMBL9400442 0.89 KCNK9 (0.43) NPC1RAB9APKMMAPTL3MBTL1
SCHEMBL9400491 0.89 MAPT (0.41) RAB9AMAPTL3MBTL1LMNAALDH1A1
SCHEMBL7759853 0.88 MEN1 (0.41) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL7759244 0.88 MAPT (0.39) NPC1RAB9AMAPTL3MBTL1LMNA
SCHEMBL9400362 0.88 MAPT (0.41) RAB9AMAPTL3MBTL1LMNAALDH1A1

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