SCHEMBL7074609

SCHEMBL7074609

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

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLG P00747 12/20 0.66
PKM P14618 4/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
GAA P10253 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HTT P42858 1/20 0.64
MEN1 O00255 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
F10 P00742 4/20 0.57
PLAU P00749 3/20 0.56
F2 P00734 2/20 0.56
ST14 Q9Y5Y6 2/20 0.56
F12 P00748 1/20 0.56
KLKB1 P03952 1/20 0.56
PROC P04070 1/20 0.56
MAPT P10636 1/20 0.52

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
SCHEMBL7074612 0.92 PLG (0.56) PLGPKMALDH1A1LMNAGAA
SCHEMBL7073594 0.90 PKM (0.72) PLGPKMALDH1A1LMNAGAA
SCHEMBL7073640 0.87 PLG (0.56) PLGPKMALDH1A1LMNAGAA
SCHEMBL7071442 0.86 SMN1; SMN2 (0.56) PLGPKMALDH1A1LMNAGAA
SCHEMBL7074294 0.86 ALDH1A1 (0.54) PLGPKMALDH1A1LMNAGAA
SCHEMBL7077118 0.86 ALDH1A1 (0.52) PLGPKMALDH1A1LMNAGAA
SCHEMBL7074309 0.86 PKM (0.63) PLGPKMALDH1A1LMNAGAA
SCHEMBL9951915 0.86 PKM (0.80) PKMALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7074277 0.83 F10 (0.67) PLGPKMALDH1A1LMNAGAA
SCHEMBL7074428 0.82 PKM (0.62) PLGPKMALDH1A1LMNAGAA

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 4 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
EP-1025086-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2000-08-09 EP disclosed
WO-1999016751-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 1999-04-08 WO disclosed