SCHEMBL7503263

SCHEMBL7503263

CCOC(=O)C=Cc1ccc(NC(=O)c2cccc(NC=NN)c2)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 3/20 0.41
ITGB3 P05106 3/20 0.41
ITGAV P06756 3/20 0.41
ITGA2B P08514 3/20 0.41
ITGB1 P05556 1/20 0.41
ITGB5 P18084 1/20 0.41
NPC1 O15118 5/20 0.40
MEN1 O00255 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
MAPT P10636 5/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 4/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 4/20 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
SCHEMBL7503254 0.89 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AITGB3ITGAVITGA2B
SCHEMBL7503257 0.89 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AITGB3ITGAVITGA2B
SCHEMBL7501540 0.89 ITGB3 (0.52) SMN1; SMN2KMT2AITGB3ITGAVITGA2B
SCHEMBL7495919 0.86 ITGB3 (0.49) KMT2AITGB3ITGAVITGA2BITGB1
SCHEMBL7508067 0.85 ITGB3 (0.52) SMN1; SMN2KMT2AITGB3ITGAVITGA2B
SCHEMBL7510036 0.84 CA12 (0.49) SMN1; SMN2KMT2AITGB3ITGAVITGA2B
SCHEMBL7498241 0.80 KMT2A (0.39) SMN1; SMN2KMT2AITGB3ITGA2BNPC1
SCHEMBL7497396 0.80 ITGB3 (0.46) SMN1; SMN2KMT2AITGB3ITGAVITGA2B
SCHEMBL7498899 0.79 ITGB3 (0.49) SMN1; SMN2KMT2AITGB3ITGAVITGA2B
SCHEMBL7496765 0.78 ITGB3 (0.51) SMN1; SMN2KMT2AITGB3ITGAVITGA2B

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