SCHEMBL9750077

SCHEMBL9750077

CC(=O)CC(C)=O.COc1ccc(C(=CCC=C(c2ccc(OC)cc2)c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
CYP1A2 P05177 3/20 0.53
MAOB P27338 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 1/20 0.51
ESR2 Q92731 1/20 0.51
NOX1 Q9Y5S8 1/20 0.51
ATM Q13315 1/20 0.48
GAA P10253 3/20 0.48
LMNA P02545 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GPR183 P32249 1/20 0.44

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
SCHEMBL9750091 0.90 ALDH1A1 (0.50) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL9749961 0.82 EGFR (0.44) ESR2KMT2AALDH1A1KDM4EPOLB
SCHEMBL9839509 0.81 ALDH1A1 (0.47) MAPTMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL9750173 0.81 MAPT (0.46) MAPTCYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL9750072 0.80 MAPT (0.47) MAPTCYP1A2MAOBNPC1RAB9A
SCHEMBL4897408 0.78 ALDH1A1 (0.52) MAPTNPC1RAB9AGAAKMT2A
SCHEMBL10473229 0.77 MAOB (0.56) MAPTCYP1A2MAOBNPC1RAB9A
SCHEMBL10473228 0.77 MAOB (0.56) MAPTCYP1A2MAOBNPC1RAB9A
SCHEMBL11469683 0.75 CES2 (0.73) MAPTCYP1A2MAOBNPC1RAB9A
SCHEMBL196028 0.75 MAPT (0.73) MAPTCYP1A2MAOBNPC1RAB9A

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 2 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-5008238-A Thermosensitive material with phenolic developer RICOH COMPANY, LTD. (JP) 1991-04-16 US disclosed