SCHEMBL8533935

SCHEMBL8533935

Cc1c(F)c(N)c(CC(C(=O)O)C(=O)c2cccc(NC=NN)c2)c(-c2ccccc2)c1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.33
F2 P00734 1/20 0.33
DHODH Q02127 1/20 0.31
CASP1 P29466 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL8531726 0.86 WDR5 (0.32) DHODHCASP1
SCHEMBL8532207 0.74 CA1 (0.33)
SCHEMBL6777725 0.66 RAB9A (0.50)
SCHEMBL8531518 0.66 CA1 (0.34)
SCHEMBL8532447 0.64 PTGS1 (0.40) DHODHTP53
SCHEMBL7373859 0.64 GPR132 (0.53)
SCHEMBL7376317 0.64 GPR132 (0.49)
SCHEMBL7376324 0.64 GPR132 (0.49)
SCHEMBL7375387 0.64 GPR132 (0.42)
SCHEMBL8429467 0.64 CYP1A2 (0.41) CASP1TP53

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