SCHEMBL10038435

SCHEMBL10038435

Cc1cc(OC#N)ccc1N=C=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL10110791 0.87 CYP3A4 (0.54) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL162798 0.81 CYP3A4 (0.51) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL17576532 0.80 TDP1 (0.37) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL16707390 0.80 CYP3A4 (0.39) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL16707546 0.79 CYP3A4 (0.38) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL12909390 0.78 CYP3A4 (0.50) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL10341831 0.78 CYP3A4 (0.43) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL8564350 0.78 CYP3A4 (0.43) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL10392671 0.77 CYP3A4 (0.42) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL17576535 0.77 TDP1 (0.41) CYP3A4TRPA1ALDH1A1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167229-A1 BLOCKED ISOCYANATE COMPOSITION, HEAT-CURABLE RESIN COMPOSITION, CURED PRODUCT, PRODUCTION METHOD THEREFOR, AMIDATE COMPOUND, AND CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-06-01 US disclosed
US-20160282770-A1 MEANDER CONTROL MEMBER, TRANSFER BELT, TRANSFER UNIT, AND IMAGE-FORMING APPARATUS FUJI XEROX CO., LTD. (JP) 2016-09-29 US disclosed
US-20160070210-A1 ENDLESS BELT, TRANSFER UNIT, AND IMAGE FORMING APPARATUS FUJI XEROX CO., LTD. (JP) 2016-03-10 US disclosed
US-20120046393-A1 Nano-hybrid Concrete Chemical Admixture for Chloride Invasion Resistance Consisting of Layered Double Hydroxide/Polyurethane Copolymer SILKROAD C&T CO., LTD. (KP) 2012-02-23 US disclosed
US-20100324175-A1 Polymer for Ultra-High Strength Concrete Admixture and Method for Preparing the Same SILKROAD C & T CO., LTD (KR) 2010-12-23 US disclosed