SCHEMBL7918964

SCHEMBL7918964

Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2OC#N)c(OC#N)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.50
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
HIF1A Q16665 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2D6 P10635 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
CYP3A4 P08684 1/20 0.35
AR P10275 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
SCHEMBL3415521 0.81 SMN1; SMN2 (0.41) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL8961822 0.79 AR (0.36) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL3421216 0.78 SMN1; SMN2 (0.38) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL3419666 0.77 SMN1; SMN2 (0.37) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL1777835 0.76 HSPA5 (0.53) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL3421497 0.75 SMN1; SMN2 (0.36) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL3416016 0.75 ALDH1A1 (0.36) SMN1; SMN2CYP2D6ALDH1A1CA2POLB
SCHEMBL30002851 0.75 ACHE (0.48) CA2AR
SCHEMBL20866062 0.75 ACHE (0.48) CA2AR
SCHEMBL3418023 0.73 CYP2D6 (0.43) HSPA5CYP2C9CYP2C19SMN1; SMN2CYP2D6

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
EP-2597114-B1 Organic-inorganic composite materials containing triazine rings and electrical devices using the same HITACHI LTD (JP) 2017-03-15 EP disclosed
US-9090796-B2 Organic-inorganic composite materials containing triazine rings and electrical devices using the same HITACHI, LTD. (JP) 2015-07-28 US disclosed
EP-2597114-A1 Organic-inorganic composite materials containing triazine rings and electrical devices using the same Hitachi Ltd. (JP) 2013-05-29 EP disclosed
US-20130131248-A1 ORGANIC-INORGANIC COMPOSITE MATERIALS CONTAINING TRIAZINE RINGS AND ELECTRICAL DEVICES USING THE SAME HITACHI, LTD. (JP) 2013-05-23 US disclosed
US-6225492-B1 CONTACTING CYANATE CRUDE PRODUCT SOLUTION COMPRISING CYANATE, UNSUBSTITUTED PHENOL AND NON-ALCOHOLIC SOLVENT WITH POOR SOLVENT CONTAINING ALCOHOL AND WATER TO CRYSTALLIZE OR PRECIPITATE SAID CYANATE SUMITOMO CHEMICAL CO., LTD. (JP) 2001-05-01 US disclosed
US-5705548-A AROMATIC DICYANATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-06 US disclosed
EP-0781821-A2 Polyester powder coating composition SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-07-02 EP disclosed