SCHEMBL1900258

SCHEMBL1900258

Cc1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2N(c2ccccc2)c2ccc(C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ACHE P22303 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
APP P05067 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CES1 P23141 2/20 0.38
C5AR1 P21730 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL17358865 1.00 CYP2C19 (0.42) CYP2C19ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL8366034 0.96 ALDH1A1 (0.42) CYP2C19ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL7906917 0.90 CYP2C19 (0.39) CYP2C19ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL29268252 0.89 CYP2C19 (0.47) CYP2C19ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL8105552 0.89 CYP2C19 (0.47) CYP2C19ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL2146885 0.89 CYP2C19 (0.47) CYP2C19ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL27482426 0.88 NPC1 (0.38) CYP2C19TSHRTDP1ACHELMNA
SCHEMBL7757061 0.88 CYP2C19 (0.40) CYP2C19ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL18801433 0.87 HPRT1 (0.41) CYP2C19ALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL19595962 0.87 HPRT1 (0.41) CYP2C19ALDH1A1L3MBTL1TDP1KDM4E

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
WO-2011056778-A2 INTERLAYER FOR ORGANIC SOLAR CELLS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-05-12 WO claimed
WO-2011056778-A2 INTERLAYER FOR ORGANIC SOLAR CELLS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-05-12 WO disclosed