SCHEMBL10126425

SCHEMBL10126425

COc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccc(C=Cc4ccc(N(c5ccc(C)cc5)c5ccc(O)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 3/20 0.66
PTGS2 P35354 4/20 0.56
CYP1A1 P04798 3/20 0.56
CYP1B1 Q16678 3/20 0.56
PTGS1 P23219 3/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPT P10636 4/20 0.54
ALOX5 P09917 3/20 0.54
TTR P02766 2/20 0.54
MEN1 O00255 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
NQO2 P16083 2/20 0.54
NPC1 O15118 1/20 0.54
ABL1 P00519 1/20 0.54
ABCB1 P08183 1/20 0.54
GAA P10253 1/20 0.54
BCR P11274 1/20 0.54

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
SCHEMBL8943803 0.92 RELA (0.78) RELAPTGS2CYP1A1CYP1B1PTGS1
SCHEMBL4400838 0.92 RELA (0.78) RELAPTGS2CYP1A1CYP1B1PTGS1
SCHEMBL1366377 0.92 RELA (0.78) RELAPTGS2CYP1A1CYP1B1PTGS1
SCHEMBL10126409 0.92 RELA (0.78) RELAPTGS2CYP1A1CYP1B1PTGS1
SCHEMBL16489738 0.92 RELA (0.78) RELAPTGS2CYP1A1CYP1B1PTGS1
SCHEMBL10015741 0.92 RELA (0.78) RELAPTGS2CYP1A1CYP1B1PTGS1
SCHEMBL12576222 0.92 RELA (0.78) RELAPTGS2CYP1A1CYP1B1PTGS1
SCHEMBL7904563 0.92 RELA (0.78) RELAPTGS2CYP1A1CYP1B1PTGS1
SCHEMBL7904561 0.92 RELA (0.78) RELAPTGS2CYP1A1CYP1B1PTGS1
SCHEMBL7870286 0.92 RELA (0.78) RELAPTGS2CYP1A1CYP1B1PTGS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097393-B2 Image forming apparatus and image forming method RICOH COMPANY, LTD. (JP) 2012-01-17 US disclosed