SCHEMBL7074277

SCHEMBL7074277

N=C(N)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.67
ATM Q13315 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.65
PLG P00747 5/20 0.62
GAA P10253 1/20 0.58
PKM P14618 4/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
RAB9A P51151 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 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 SCHEMBL27550441 0.96 F10 (0.62) F10ATMSMN1; SMN2PLGGAA
SCHEMBL5735860 0.91 F10 (0.80) F10ATMSMN1; SMN2PLGGAA
SCHEMBL7074239 0.90 F10 (0.63) F10ATMSMN1; SMN2PLGCA12
Acetic Acid SCHEMBL28744428 0.87 F10 (0.74) F10ATMSMN1; SMN2GAAPKM
Acetic Acid SCHEMBL27550419 0.87 F10 (0.59) F10ATMSMN1; SMN2PLG
SCHEMBL7075851 0.85 USP2 (0.61) F10SMN1; SMN2PLGGAAPKM
SCHEMBL7074137 0.85 F10 (0.62) F10ATMSMN1; SMN2PLGGAA
SCHEMBL7071911 0.84 L3MBTL1 (0.61) F10GAAKMT2AMEN1CA12
SCHEMBL7074160 0.83 F10 (0.54) F10SMN1; SMN2GAAKMT2AMEN1
SCHEMBL7074108 0.83 F10 (0.54) F10SMN1; SMN2GAAKMT2AMEN1

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