SCHEMBL14224568

SCHEMBL14224568

Cc1cc(-c2csc(-n3ncc(C(=O)O)c3C)n2)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.55
ICAM1 P05362 2/20 0.55
ITGAL P20701 2/20 0.55
KDM4E B2RXH2 6/20 0.53
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
NPC1 O15118 3/20 0.53
CRHBP P24387 1/20 0.52
MC4R P32245 1/20 0.52
CRHR2 Q13324 1/20 0.52
ATM Q13315 1/20 0.52
HPGD P15428 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTGER4 P35408 1/20 0.46
ITGB3 P05106 6/20 0.46

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
SCHEMBL4829469 0.95 ITGB2 (0.58) ITGB2ICAM1ITGALKDM4ERAB9A
SCHEMBL1198783 0.87 ITGB2 (0.71) ITGB2ICAM1ITGALKDM4ERAB9A
SCHEMBL4823256 0.86 KDM4E (0.65) ITGB2ICAM1ITGALKDM4ERAB9A
SCHEMBL4829071 0.83 KDM4E (0.72) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL12875489 0.81 KDM4E (0.60) ITGB2ICAM1ITGALKDM4ERAB9A
SCHEMBL6255206 0.80 RAB9A (0.58) ITGB2ICAM1ITGALKDM4ERAB9A
SCHEMBL12875465 0.79 RAB9A (0.63) ITGB2ICAM1ITGALKDM4ERAB9A
SCHEMBL12875471 0.78 RAB9A (0.72) ITGB2ICAM1ITGALKDM4ERAB9A
SCHEMBL14196468 0.77 RAB9A (0.60) ITGB2ICAM1ITGALKDM4ERAB9A
SCHEMBL12875487 0.77 KDM4E (0.76) ITGB2ICAM1ITGALKDM4ERAB9A

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