SCHEMBL4706987

SCHEMBL4706987

Cc1nnnn1-c1ccc(Cl)cc1-c1cc(C2(C(F)(F)F)N=NN=N2)[c]cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1921377 0.78 NOTUM (0.41) NOTUML3MBTL1
SCHEMBL1921376 0.72 NOTUM (0.40) NOTUML3MBTL1
SCHEMBL3828488 0.65
SCHEMBL1197799 0.63 L3MBTL1 (0.47) NOTUML3MBTL1
SCHEMBL10231735 0.60 L3MBTL1 (0.49) NOTUML3MBTL1
SCHEMBL2657681 0.59 L3MBTL1 (0.48) NOTUML3MBTL1
SCHEMBL1196334 0.59 NOTUM (0.39) NOTUML3MBTL1
SCHEMBL15783459 0.58 NOTUM (0.43) NOTUM
SCHEMBL15337360 0.57 NOTUM (0.43) NOTUML3MBTL1
SCHEMBL5542210 0.57 KCNN4 (0.55) NOTUML3MBTL1

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-1981854-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2008-10-22 EP disclosed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed