SCHEMBL9749972

SCHEMBL9749972

CN(C)c1ccc(C(=CC(C=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2cc([N+](=O)[O-])ccc2C(N)=O)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MCL1 Q07820 1/20 0.44
ALDH1A1 P00352 8/20 0.42
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
BAZ1A Q9NRL2 1/20 0.39
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
PLG P00747 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
SCHEMBL9840314 0.88 ALDH1A1 (0.47) KMT2AMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL9750085 0.83 NPC1 (0.50) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9750417 0.82 MAPT (0.42) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9750097 0.82 ALDH1A1 (0.40) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9749572 0.81 ALDH1A1 (0.45) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9838423 0.81 MAPT (0.41) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9839539 0.81 MAPT (0.40) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9749985 0.79 ALDH1A1 (0.39) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9750060 0.79 RAB9A (0.43) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9749968 0.78 MAPT (0.47) KMT2AMAPTSMN1; SMN2RAB9ANPC1

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