SCHEMBL8520762

SCHEMBL8520762

CCC(=Cc1ccc(NC(=O)c2cccc(NC=NN)c2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 2/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
NR1H4 Q96RI1 4/20 0.43
FFAR1 O14842 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.41
EPHX2 P34913 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41

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
SCHEMBL8520931 0.86 FFAR1 (0.49) KMT2AMEN1NPC1NR1H4FFAR1
SCHEMBL8520753 0.85 KMT2A (0.48) KMT2AMEN1NPC1ITGB3ITGA2B
SCHEMBL7498241 0.84 KMT2A (0.39) KMT2AMEN1NPC1ITGB3ITGA2B
SCHEMBL7506968 0.81 KMT2A (0.46) KMT2AMEN1NPC1ITGB3ITGA2B
SCHEMBL7457481 0.80 NR1H4 (0.67) KMT2AMEN1ITGB3ITGA2BNR1H4
SCHEMBL7506889 0.79 ITGB3 (0.64) ITGB3ITGA2BNR1H4ITGB1ITGAV
SCHEMBL7510036 0.78 CA12 (0.49) KMT2AMEN1NPC1ITGB3ITGA2B
SCHEMBL7373424 0.77 ITGB3 (0.64) KMT2AMEN1ITGB3ITGA2BNR1H4
SCHEMBL7452327 0.77 ITGB3 (0.53) KMT2AMEN1NPC1ITGB3ITGA2B
SCHEMBL7377112 0.77 ITGB3 (0.55) KMT2AMEN1NPC1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP disclosed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed