SCHEMBL1369698

SCHEMBL1369698

C=CCc1ccccc1N(c1ccccc1CC=C)c1ccc(-c2ccc(N)cc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AKR1B1 P15121 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL5673769 0.82 AKR1B1 (0.32) AKR1B1GABRA1GABRB2
SCHEMBL1369697 0.78 PTGDR2 (0.33) CYP3A4TDP1AKR1B1GABRA1GABRB2
SCHEMBL8210128 0.76 CYP3A4 (0.42) CYP3A4TAAR1HSD17B10TDP1AKR1B1
SCHEMBL10522612 0.76 ALDH1A1 (0.48) CYP3A4TAAR1HSD17B10TDP1
SCHEMBL297638 0.76 ALDH1A1 (0.48) CYP3A4TAAR1HSD17B10TDP1
SCHEMBL4565154 0.74 CYP3A4 (0.52) CYP3A4TAAR1HSD17B10TDP1GABRA1
SCHEMBL28845467 0.74 ALDH1A1 (0.47) CYP3A4TAAR1HSD17B10TDP1
SCHEMBL27974883 0.74 PRKCZ (0.39) CYP3A4TAAR1HSD17B10TDP1
SCHEMBL16487343 0.72 GABRA1 (0.39) AKR1B1GABRA1GABRB2
SCHEMBL29475171 0.72 ALDH1A1 (0.56) CYP3A4TAAR1HSD17B10TDP1

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-8067139-B2 Resin mixture backing layer containing photoconductor XEROX CORPORATION (US) 2011-11-29 US disclosed
EP-1277089-A4 CHARGE GENERATION LAYERS COMPRISING AT LEAST ONE TITANATE AND PHOTOCONDUCTORS INCLUDING THE SAME LEXMARK INT INC (US) 2006-03-01 EP disclosed
EP-1277089-A1 CHARGE GENERATION LAYERS COMPRISING AT LEAST ONE TITANATE AND PHOTOCONDUCTORS INCLUDING THE SAME Lexmark International, Inc. (US) 2003-01-22 EP disclosed
WO-2001079937-A1 CHARGE GENERATION LAYERS COMPRISING AT LEAST ONE TITANATE AND PHOTOCONDUCTORS INCLUDING THE SAME LEXMARK INTERNATIONAL, INC. (US) 2001-10-25 WO disclosed