SCHEMBL7572346

SCHEMBL7572346

CCC(=Cc1ccc(NC(=O)c2cccc(NC(=N)N)c2)cc1OC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.50
ITGAV P06756 4/20 0.50
ITGA2B P08514 4/20 0.50
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ITGB1 P05556 1/20 0.44
ITGB5 P18084 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
SETD7 Q8WTS6 1/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
KDM4E B2RXH2 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8520753 0.84 KMT2A (0.48) ITGB3ITGAVITGA2BNPC1ITGB1
SCHEMBL7498232 0.84 NR1H4 (0.41) ITGB3ITGA2BALDH1A1MAPTNPC1
SCHEMBL7373335 0.77 ITGB3 (0.71) ITGB3ITGAVITGA2BALDH1A1MAPT
SCHEMBL7458369 0.76 ITGB3 (0.72) ITGB3ITGAVITGA2BALDH1A1MAPT
Bicarbonate SCHEMBL7767424 0.75 ALDH1A1 (0.52) ITGB3ITGAVITGA2BALDH1A1MAPT
SCHEMBL7765701 0.74 ALDH1A1 (0.46) ITGB3ITGAVITGA2BALDH1A1MAPT
SCHEMBL7498241 0.73 KMT2A (0.39) ITGB3ITGA2BALDH1A1MAPTNPC1
SCHEMBL7353478 0.73 ALDH1A1 (0.49) ITGB3ITGAVITGA2BALDH1A1MAPT
SCHEMBL8520757 0.72 KMT2A (0.51) ITGB3ITGA2BALDH1A1MAPTNPC1
SCHEMBL7497389 0.72 PARP1 (0.51) ITGB3ITGAVITGA2BALDH1A1NPC1

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
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP claimed