SCHEMBL14224260

SCHEMBL14224260

CCc1c(C=O)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.62
ICAM1 P05362 2/20 0.62
ITGAL P20701 2/20 0.62
ITGB3 P05106 15/20 0.54
ITGA2B P08514 15/20 0.54
AR P10275 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL14224259 0.87 ITGB2 (0.60) ITGB2ICAM1ITGALITGB3ITGA2B
SCHEMBL14224477 0.86 ITGB3 (0.60) ITGB2ICAM1ITGALITGB3ITGA2B
SCHEMBL14196465 0.83 ITGB2 (0.74) ITGB2ICAM1ITGALITGB3ITGA2B
SCHEMBL14224255 0.82 KDM4E (0.56) ITGB2ICAM1ITGALITGB3ITGA2B
SCHEMBL14224471 0.76 AR (0.53) ITGB2ICAM1ITGALITGB3ITGA2B
SCHEMBL14224469 0.76 ITGB2 (0.47) ITGB2ICAM1ITGALITGB3ITGA2B
SCHEMBL14224472 0.75 RAB9A (0.47) ITGB3ITGA2BKDM4EALDH1A1MEN1
SCHEMBL1198997 0.74 KDM4E (0.71) ITGB2ICAM1ITGALITGB3ITGA2B
SCHEMBL1198783 0.74 ITGB2 (0.71) ITGB2ICAM1ITGALITGB3ITGA2B
SCHEMBL14224468 0.74 KDM4E (0.47) ITGB2ICAM1ITGALITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358267-B2 Bis-aryl thiazole derivatives AMGEN INC. (US) 2008-04-15 US disclosed