SCHEMBL2491691

SCHEMBL2491691

SN1COc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
HTT P42858 2/20 0.39
NOTUM Q6P988 1/20 0.38
PDK1 Q15118 1/20 0.37
HSD17B3 P37058 1/20 0.36
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
DAPK3 O43293 1/20 0.33
RET P07949 1/20 0.33
PRKACA P17612 1/20 0.33
GRK5 P34947 1/20 0.33
CDK8 P49336 1/20 0.33
GSK3A P49840 1/20 0.33

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
SCHEMBL4957293 0.84 NOTUM (0.33) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL18026809 0.78 ITGB2 (0.52) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL5263086 0.73 ABCG2 (0.44) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL3220813 0.73 ABCG2 (0.44) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL4308991 0.73 ABCG2 (0.44) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL29450351 0.73 ABCG2 (0.44) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL22317949 0.73 ABCG2 (0.44) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL12598829 0.72 ABCG2 (0.39) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL11691334 0.72 ABCG2 (0.39) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
Hydrochloric Acid SCHEMBL12469273 0.71 ABCG2 (0.42) ABCG2ITGB2ICAM1ITGALSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4242495-A COATINGS, MOLDINGS, FOAMS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-12-30 US claimed
CN-1923804-B Adducts containing isocyanate groups and compositions having effective adhesion on painted substrates SIKA TECHNOLOGY AG 2012-05-30 CN disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
CN-1923804-A Adducts containing isocyanate groups and composition adhering effectively to painted substrates SIKA TECHNOLOGY AG (CH) 2007-03-07 CN disclosed
US-5607817-A DIALKYLAMINOPHENYL-SUBSTITUTED TRIAZINE SENSITIZER MITSUBISHI CHEMICAL CORPORATION (JP) 1997-03-04 US disclosed
EP-0537630-B1 Photopolymerizable composition MITSUBISHI CHEM CORP (JP) 1996-02-28 EP disclosed
EP-0537630-A1 Photopolymerizable composition Mitsubishi Chemical Corporation (JP) 1993-04-21 EP disclosed