SCHEMBL7438417

SCHEMBL7438417

O=C(O)CC1Cc2cc(C(=O)NCCCc3ccncc3)ccc2CNC1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.47
ITGA2B P08514 1/20 0.47
ROCK2 O75116 3/20 0.44
NAMPT P43490 3/20 0.43
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
EPHX2 P34913 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGAV P06756 2/20 0.39
GRK2 P25098 1/20 0.39
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
Hydrochloric Acid SCHEMBL7136748 0.85 ITGB3 (0.42) ITGB3ITGA2BROCK2NAMPTITGAV
SCHEMBL6952282 0.80 ITGB3 (0.66) ITGB3ITGA2BNAMPT
SCHEMBL6945837 0.80 ITGB3 (0.55) ITGB3ITGA2BROCK2NAMPTEPHX2
SCHEMBL7438405 0.79 ITGB3 (0.67) ITGB3ITGA2BROCK2ITGAV
SCHEMBL6676450 0.77 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL6676454 0.77 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL8364227 0.72 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL6679726 0.72 ITGB3 (0.51) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL6679721 0.72 ITGB3 (0.51) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL6953549 0.71 ITGB3 (0.53) ITGB3ITGA2BROCK2NAMPTITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed