SCHEMBL7077553

SCHEMBL7077553

N=C(N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.65
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
MAPT P10636 2/20 0.57
POLB P06746 2/20 0.56
CNR1 P21554 1/20 0.55
MAPK1 P28482 1/20 0.54

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
Acetic Acid SCHEMBL27552344 0.95 F10 (0.60) F10CA12CA1CA2CA7
SCHEMBL6737341 0.88 F10 (0.77) F10
SCHEMBL7074494 0.88 F10 (0.66) F10CA12CA1CA2CA7
SCHEMBL7071911 0.88 L3MBTL1 (0.61) F10CA12CA1CA2CA7
SCHEMBL7074438 0.88 F10 (0.69) F10CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL5733561 0.87 F10 (0.75) F10
SCHEMBL7076666 0.87 LMNA (0.72) F10MEN1KMT2ALMNAL3MBTL1
SCHEMBL7074220 0.87 LMNA (0.71) F10CA12CA1CA2CA7
SCHEMBL7126859 0.86 ALDH1A1 (0.62) F10MEN1KMT2ALMNAL3MBTL1
SCHEMBL7077254 0.85 F10 (0.66) F10MEN1KMT2ALMNAMAPT

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-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 EP disclosed
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed