SCHEMBL9750417

SCHEMBL9750417

Cc1ccc(C(N)=O)c(C(C=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)C=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 7/20 0.40
NPC1 O15118 5/20 0.40
HPGD P15428 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 4/20 0.39
RAB9A P51151 4/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.36
KCNK3 O14649 1/20 0.36
POLB P06746 2/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL9838423 0.99 MAPT (0.41) MAPTGAALMNAALDH1A1NPC1
SCHEMBL9750060 0.95 RAB9A (0.43) MAPTGAALMNAALDH1A1NPC1
SCHEMBL9750137 0.94 ALDH1A1 (0.44) MAPTGAALMNAALDH1A1NPC1
SCHEMBL9750005 0.92 MEN1 (0.45) MAPTGAALMNAALDH1A1NPC1
SCHEMBL9750078 0.90 MAPT (0.39) MAPTGAALMNAALDH1A1NPC1
SCHEMBL9750085 0.89 NPC1 (0.50) MAPTLMNAALDH1A1NPC1HPGD
SCHEMBL9750097 0.88 ALDH1A1 (0.40) MAPTGAALMNAALDH1A1NPC1
SCHEMBL9749549 0.87 MAPT (0.38) MAPTGAALMNAALDH1A1NPC1
SCHEMBL9749572 0.86 ALDH1A1 (0.45) MAPTGAALMNAALDH1A1NPC1
SCHEMBL9749985 0.83 ALDH1A1 (0.39) MAPTGAAALDH1A1NPC1HPGD

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