SCHEMBL9749985

SCHEMBL9749985

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 4/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
HSD17B10 Q99714 3/20 0.35
TSHR P16473 1/20 0.35
CFTR P13569 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ESRRG P62508 1/20 0.34
RAB9A P51151 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
SCHEMBL9750055 0.88 MAPT (0.38) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL9750085 0.84 NPC1 (0.50) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL9750417 0.83 MAPT (0.42) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL9750097 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL9838423 0.82 MAPT (0.41) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL9749572 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL9750060 0.80 RAB9A (0.43) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL9749968 0.79 MAPT (0.47) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL9749972 0.79 KMT2A (0.46) ALDH1A1GAAMAPTKMT2ANPC1
SCHEMBL9750137 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHPGDMAPT

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