SCHEMBL8534458

SCHEMBL8534458

CCOC(=O)Cc1cccc(-c2cccc(C(=N)N)c2)c1NC=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.43
F2 P00734 7/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
EGFR P00533 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
SCHEMBL8531077 0.85 PRSS1 (0.43) F10F2PRSS1PRSS2PRSS3
SCHEMBL8429101 0.79 PTGER4 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL8430846 0.75 F10 (0.41) F10F2PRSS1PRSS2PRSS3
SCHEMBL8530521 0.70 ENPP2 (0.47)
SCHEMBL23229045 0.67 PKM (0.47)
Hydrochloric Acid SCHEMBL3303778 0.67 F10 (0.64) F10F2
SCHEMBL8531524 0.67 ENPP2 (0.39)
SCHEMBL1505615 0.65 F10 (0.65) F10F2
SCHEMBL2390130 0.65 CYP4F2 (0.51) HPGD
SCHEMBL6366473 0.65 DHODH (0.44) F10TP53

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