SCHEMBL7074239

SCHEMBL7074239

N=C(N)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.63
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
PLG P00747 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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 SCHEMBL27550419 0.96 F10 (0.59) F10ATMSMN1; SMN2PLG
SCHEMBL7074277 0.90 F10 (0.67) F10ATMSMN1; SMN2PLGCA12
SCHEMBL6737341 0.90 F10 (0.77) F10ATM
SCHEMBL7071911 0.90 L3MBTL1 (0.61) F10CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL5733561 0.89 F10 (0.75) F10ATM
Acetic Acid SCHEMBL27550413 0.87 F10 (0.71) F10ATM
Acetic Acid SCHEMBL27550441 0.87 F10 (0.62) F10ATMSMN1; SMN2PLGCA12
Acetic Acid SCHEMBL27550437 0.86 L3MBTL1 (0.57) F10CA12CA1CA2CA7
SCHEMBL7074108 0.85 F10 (0.54) F10SMN1; SMN2CA12CA1CA2
SCHEMBL7074160 0.85 F10 (0.54) F10SMN1; SMN2CA12CA1CA2

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