SCHEMBL8535992

SCHEMBL8535992

Cc1c(Sc2cccc(NC(=N)N)c2)cccc1C(CC(=O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.40
ITGAV P06756 11/20 0.40
ITGA2B P08514 10/20 0.40
SIRT2 Q8IXJ6 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SIRT1 Q96EB6 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8534198 0.78 LMNA (0.40) ITGB3ITGAVMEN1KMT2ASMN1; SMN2
SCHEMBL8531545 0.77 PARP1 (0.34) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL8501217 0.77 ITGB3 (0.45) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7864761 0.75 ITGB3 (0.43) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL8534056 0.75 CASR (0.39) ITGB3ITGAV
SCHEMBL8501220 0.74 ITGB3 (0.42) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7863285 0.74 ITGB3 (0.48) ITGB3ITGAVITGA2BPOLBMAPT
SCHEMBL8534303 0.73 ITGB3 (0.41) ITGB3ITGAVITGA2BPOLBSMN1; SMN2
SCHEMBL8532970 0.73 CTSA (0.43) ITGB3ITGAV
SCHEMBL7863196 0.71 MAPT (0.50) ITGB3ITGA2BSIRT2SMN1; SMN2TP53

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-5773646-A INTEGRIN INHIBITORS G. D. SEARLE & CO. (US) 1998-06-30 US disclosed