SCHEMBL3009802

SCHEMBL3009802

Cc1ccc(N=C=O)c(Sc2cc(C)ccc2N=C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TRPA1 O75762 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ ADRA2A P08913 1/20 0.31
▸ HTR1A P08908 1/20 0.30
▸ HTR3A P46098 1/20 0.30
▸ SLC6A2 P23975 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
SCHEMBL484027 0.89 CYP3A4 (0.44) CYP3A4HPGDGAAMEN1LMNA
SCHEMBL29466687 0.89 CYP3A4 (0.44) CYP3A4HPGDGAAMEN1LMNA
SCHEMBL17847501 0.87 CYP3A4 (0.41) CYP3A4HPGDGAAMEN1LMNA
SCHEMBL27887506 0.85 CYP3A4 (0.41) CYP3A4HPGDGAAMEN1LMNA
SCHEMBL19405328 0.85 CYP3A4 (0.44) CYP3A4HPGDGAAMEN1LMNA
SCHEMBL645833 0.79 CYP3A4 (0.50) CYP3A4HPGDGAAMEN1LMNA
SCHEMBL30519851 0.79 CYP3A4 (0.50) CYP3A4HPGDGAAMEN1LMNA
SCHEMBL28479108 0.79 CYP3A4 (0.40) CYP3A4HPGDGAAMEN1LMNA
SCHEMBL1493132 0.78 CYP3A4 (0.53) CYP3A4HPGDTRPA1ALDH1A1TDP1
SCHEMBL31115174 0.78 CYP3A4 (0.52) CYP3A4HPGDGAAMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9110223-B2 Method for treating the surface of a substrate based on sulphur polymer, intended to be covered with a coating ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2015-08-18 — — US disclosed
US-20100189889-A1 Method for Treating the Surface of a Substrate Based on Sulphur Polymer, Intended to be Covered with a Coating ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2010-07-29 — — US disclosed
US-7618141-B2 Polymerizable composition containing an odor masking agent and a perfume, an optical lens and a production method ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2009-11-17 — — US disclosed
US-20080013042-A1 Polymerizable Composition Containing An Odor Masking Agent And A Perfume, An Optical Lens And A Production Method ESSILOR INTERNATIONAL (FR) 2008-01-17 — — US disclosed
EP-0378895-B1 A MERCAPTO COMPOUND, A HIGH REFRACTIVE INDEX RESIN AND LENS AND A PROCESS FOR PREPARING THEM MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-07-14 — — EP disclosed
US-5191055-A Polythiourethanes MITSUI TOATSU CHEMICALS, INC. (JP) 1993-03-02 — — US disclosed
US-5087758-A Polythiourethane monomer MITSUI TOATSU CHEMICALS, INC. (JP) 1992-02-11 — — US disclosed
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