SCHEMBL8169176

SCHEMBL8169176

Cc1cc(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00
F2 P00734 1/20 0.64
PRSS1 P07477 1/20 0.64
PRSS2 P07478 1/20 0.64
PRSS3 P35030 1/20 0.64

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
SCHEMBL8163052 0.91 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8162864 0.90 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169000 0.89 F10 (0.81) F10F2PRSS1PRSS2PRSS3
SCHEMBL8168191 0.88 F10 (0.80) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169138 0.88 F10 (1.00) F10
SCHEMBL8170777 0.86 F10 (0.92) F10F2PRSS1PRSS2PRSS3
SCHEMBL8156974 0.85 F10 (0.85) F10F2PRSS1PRSS2PRSS3
SCHEMBL8163056 0.85 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8163927 0.84 F10 (0.93) F10
SCHEMBL8164548 0.84 F10 (0.83) F10F2PRSS1PRSS2PRSS3

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-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed