SCHEMBL7735346

SCHEMBL7735346

N=C(N)c1cccc(CN2CCN(S(=O)(=O)C3=Cc4ccc(Cl)cc4OC3)CC2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.61
F2 P00734 2/20 0.45

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
SCHEMBL6894309 0.92 F10 (0.59) F10F2
Hydrochloric Acid SCHEMBL6893648 0.91 F10 (0.58) F10F2
SCHEMBL6888375 0.81 F10 (0.45) F10
SCHEMBL6891892 0.80 F10 (0.41) F10
SCHEMBL7999868 0.80 F10 (0.74) F10F2
Hydrochloric Acid SCHEMBL6895363 0.79 F10 (0.73) F10F2
Hydrochloric Acid SCHEMBL6892373 0.77 F10 (0.37) F10
SCHEMBL1652285 0.77 F10 (0.89) F10F2
SCHEMBL1652464 0.76 F10 (1.00) F10F2
SCHEMBL6891105 0.76 F10 (0.42) F10

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-6403595-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed