SCHEMBL7072134

SCHEMBL7072134

N=C(N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.63
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GPR183 P32249 1/20 0.51
HSD11B1 P28845 1/20 0.50
CASP6 P55212 1/20 0.50
USP2 O75604 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 SCHEMBL27530032 0.96 F10 (0.59) F10CA12CA1CA2CA7
SCHEMBL6737341 0.86 F10 (0.77) F10
SCHEMBL9613675 0.86 F10 (0.63) F10ALDH1A1LMNAGAAL3MBTL1
SCHEMBL7071910 0.86 F10 (0.63) F10ALDH1A1LMNAGAAL3MBTL1
SCHEMBL7069547 0.86 F10 (0.76) F10CA12CA1CA2CA7
SCHEMBL7074438 0.86 F10 (0.69) F10CA12CA1CA2CA7
SCHEMBL7077553 0.85 F10 (0.65) F10CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL5733561 0.85 F10 (0.75) F10
SCHEMBL7074220 0.85 LMNA (0.71) F10CA12CA1CA2CA7
SCHEMBL1946506 0.84 ATM (0.67) CA12CA1CA2CA7CA9

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