SCHEMBL9972126

SCHEMBL9972126

Cc1cc(C=C(c2ccccc2)c2ccccc2)ccc1N(C=C(c1ccccc1)c1ccccc1)c1ccc(C=C(c2ccccc2)c2ccccc2)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.35
CYP19A1 P11511 2/20 0.33
CYP11B2 P19099 2/20 0.33
ESR1 P03372 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL9972125 0.85 TTR (0.38) PTGS2
SCHEMBL9972127 0.83 TTR (0.33) PTGS2
SCHEMBL9972130 0.83 CYP19A1 (0.39) PTGS2CYP19A1CYP11B2ESR1CYP2D6
SCHEMBL9972120 0.81 PTGS2 (0.41) PTGS2CYP19A1CYP11B2ESR1CYP2D6
SCHEMBL9972133 0.78 TTR (0.35) PTGS2
SCHEMBL11976760 0.77 PTGS2 (0.40) PTGS2CYP19A1CYP11B2ESR1CYP2D6
SCHEMBL11976765 0.75 PTGS2 (0.44) PTGS2CYP19A1CYP11B2ESR1CYP2D6
SCHEMBL11976761 0.75 PTGS2 (0.44) PTGS2CYP19A1CYP11B2ESR1CYP2D6
SCHEMBL11976770 0.74 PTGS2 (0.34) PTGS2CYP19A1CYP11B2ESR1CYP2D6
SCHEMBL12422879 0.74 RELA (0.36) PTGS2

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-20120156599-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR AND IMAGE FORMING APPARATUS INCLUDING THE SAME SHARP KABUSHIKI KAISHA (JP) 2012-06-21 US disclosed
US-20120156599-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR AND IMAGE FORMING APPARATUS INCLUDING THE SAME SHARP KABUSHIKI KAISHA (JP) 2012-06-21 US disclosed