SCHEMBL9750097

SCHEMBL9750097

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
NPC1 O15118 5/20 0.40
HPGD P15428 4/20 0.40
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX15 P16050 1/20 0.37
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 3/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 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
SCHEMBL9750085 0.89 NPC1 (0.50) ALDH1A1MAPTNPC1HPGDTP53
SCHEMBL9750417 0.88 MAPT (0.42) ALDH1A1MAPTNPC1HPGDTP53
SCHEMBL9749572 0.86 ALDH1A1 (0.45) ALDH1A1MAPTNPC1HPGDTP53
SCHEMBL9838423 0.86 MAPT (0.41) ALDH1A1MAPTNPC1HPGDTP53
SCHEMBL9750060 0.83 RAB9A (0.43) ALDH1A1MAPTNPC1HPGDTP53
SCHEMBL9749985 0.83 ALDH1A1 (0.39) ALDH1A1MAPTNPC1HPGDTP53
SCHEMBL9749968 0.83 MAPT (0.47) ALDH1A1MAPTNPC1HPGDTP53
SCHEMBL9750137 0.82 ALDH1A1 (0.44) ALDH1A1MAPTNPC1HPGDTP53
SCHEMBL9749972 0.82 KMT2A (0.46) ALDH1A1MAPTNPC1SMN1; SMN2KMT2A
SCHEMBL9750005 0.81 MEN1 (0.45) ALDH1A1MAPTNPC1TP53SMN1; SMN2

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