SCHEMBL7069339

SCHEMBL7069339

N=C(N)c1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
F10 P00742 2/20 0.52
GAA P10253 3/20 0.50
PKM P14618 2/20 0.50
ALDH1A1 P00352 3/20 0.49
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
TPSAB1 Q15661 1/20 0.49
TPSD1 Q9BZJ3 1/20 0.49
TPSG1 Q9NRR2 1/20 0.49
KMT2A Q03164 2/20 0.47
HSP90AA1 P07900 1/20 0.47
NAMPT P43490 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
YAP1 P46937 1/20 0.46
TEAD4 Q15561 1/20 0.46

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
SCHEMBL7074438 0.85 F10 (0.69) L3MBTL1F10KMT2A
SCHEMBL7074428 0.85 PKM (0.62) CNR1F10GAAPKMALDH1A1
SCHEMBL7070571 0.84 GAA (0.58) CNR1F10GAAPKMALDH1A1
SCHEMBL7071507 0.84 MAPT (0.59) CNR1L3MBTL1F10GAAPKM
SCHEMBL7074851 0.84 GAA (0.63) CNR1GAAPKMALDH1A1F2
SCHEMBL7070008 0.83 GAA (0.56) CNR1F10GAAPKMALDH1A1
SCHEMBL7075152 0.82 CNR1 (0.51) CNR1F10GAAPKMALDH1A1
Acetic Acid SCHEMBL27568115 0.81 F10 (0.64) L3MBTL1F10KMT2A
SCHEMBL7074639 0.81 ALDH1A1 (0.55) CNR1F10GAAPKMALDH1A1
SCHEMBL7074218 0.79 ALDH1A1 (0.67) CNR1GAAPKMALDH1A1F2

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