SCHEMBL7902515

SCHEMBL7902515

COc1cccc(C=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C=O)cc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 3/20 0.57
NFE2L2 Q16236 4/20 0.54
CYP19A1 P11511 1/20 0.54
CYP1A1 P04798 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP1B1 Q16678 2/20 0.51
NQO2 P16083 1/20 0.50
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46

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
SCHEMBL7902511 1.00 RELA (0.57) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL7905688 0.93 RELA (0.66) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL7905686 0.93 RELA (0.66) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL4237317 0.93 RELA (0.66) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL4237316 0.93 RELA (0.66) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL7905696 0.91 RELA (0.71) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL18557390 0.91 RELA (0.62) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL7905694 0.91 RELA (0.71) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL16312386 0.87 RELA (0.74) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL10045758 0.87 RELA (0.74) RELANFE2L2CYP19A1CYP1A1CYP1A2

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-6191249-B1 CHARGE TRANSFER PROPERTIES RICOH COMPANY, LTD. (JP) 2001-02-20 US disclosed
US-5942363-A POLYCARBONATE RESIN HAVING TRIARYLAMINE STRUCTURE IN MAIN CHAIN; CHARGE TRANSFER AGENTS RICOH COMPANY, LTD. (JP) 1999-08-24 US disclosed