SCHEMBL9750085

SCHEMBL9750085

CN(C)c1ccc(C(=CC(C=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2cc(O)ccc2C(N)=O)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
MAPT P10636 4/20 0.50
HPGD P15428 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TLR9 Q9NR96 1/20 0.40
ESRRG P62508 1/20 0.40
HSP90AA1 P07900 1/20 0.39
PDK2 Q15119 1/20 0.39
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
APP P05067 1/20 0.36

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
SCHEMBL9750417 0.89 MAPT (0.42) NPC1MAPTHPGDALDH1A1MEN1
SCHEMBL9750097 0.89 ALDH1A1 (0.40) NPC1MAPTHPGDALDH1A1MEN1
SCHEMBL9749572 0.88 ALDH1A1 (0.45) NPC1MAPTHPGDALDH1A1MEN1
SCHEMBL9838423 0.88 MAPT (0.41) NPC1MAPTHPGDALDH1A1MEN1
SCHEMBL9749985 0.84 ALDH1A1 (0.39) NPC1MAPTHPGDALDH1A1MEN1
SCHEMBL9750060 0.84 RAB9A (0.43) NPC1MAPTHPGDALDH1A1MEN1
SCHEMBL9749968 0.84 MAPT (0.47) NPC1MAPTHPGDALDH1A1MEN1
SCHEMBL9749972 0.83 KMT2A (0.46) NPC1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL9750137 0.83 ALDH1A1 (0.44) NPC1MAPTHPGDALDH1A1MEN1
SCHEMBL9750005 0.82 MEN1 (0.45) NPC1MAPTALDH1A1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084593-A Cyanine, aniline dyes for heat sensitive recording elements RICOH COMPANY, LTD. (JP) 1992-01-28 US disclosed
US-5057154-A Colorfastness, stability RICOH COMPANY, LTD. (JP) 1991-10-15 US disclosed
US-5008238-A Thermosensitive material with phenolic developer RICOH COMPANY, LTD. (JP) 1991-04-16 US disclosed
US-4939117-A Leuco dyes and recording material employing the same RICOH COMPANY, LTD. (JP) 1990-07-03 US disclosed