SCHEMBL7074494

SCHEMBL7074494

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

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.66
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
CA14 Q9ULX7 1/20 0.62
MAPT P10636 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 1/20 0.55
CASP6 P55212 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 1/20 0.50
MBTD1 Q05BQ5 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50

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 SCHEMBL27530029 0.95 F10 (0.61) F10CA12CA1CA2CA7
SCHEMBL7076666 0.88 LMNA (0.72) F10MAPTL3MBTL1MAPK1LMNA
SCHEMBL7077553 0.88 F10 (0.65) F10CA12CA1CA2CA7
SCHEMBL7074220 0.88 LMNA (0.71) F10CA12CA1CA2CA7
SCHEMBL7126859 0.88 ALDH1A1 (0.62) F10MAPTL3MBTL1MAPK1LMNA
SCHEMBL7071445 0.86 F10 (0.62) F10CA12CA1CA2CA7
SCHEMBL10717731 0.85 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL10674722 0.85 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL7074608 0.85 F10 (0.61) F10MAPTL3MBTL1MAPK1LMNA
SCHEMBL7069343 0.85 F10 (0.61) F10CA12CA1CA2CA7

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