SCHEMBL7074428

SCHEMBL7074428

N=C(N)c1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 9/20 0.62
MEN1 O00255 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 1/20 0.62
F10 P00742 3/20 0.60
GAA P10253 3/20 0.59
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
PLG P00747 3/20 0.57
HTT P42858 1/20 0.57
ATM Q13315 1/20 0.54
CNR1 P21554 1/20 0.53
F2 P00734 3/20 0.52
PRSS1 P07477 3/20 0.52
PRSS2 P07478 1/20 0.51
PRSS3 P35030 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
SCHEMBL7073594 0.90 PKM (0.72) PKMMEN1RAB9AKMT2AF10
SCHEMBL7074851 0.87 GAA (0.63) PKMKMT2AGAAALDH1A1LMNA
SCHEMBL5735860 0.86 F10 (0.80) PKMMEN1RAB9AKMT2AF10
SCHEMBL7069339 0.85 CNR1 (0.55) PKMKMT2AF10GAAALDH1A1
SCHEMBL10064232 0.85 PKM (0.74) PKMMEN1RAB9AKMT2AGAA
SCHEMBL7074115 0.84 KDM4E (0.59) PKMMEN1RAB9AKMT2AF10
SCHEMBL7070571 0.83 GAA (0.58) PKMRAB9AKMT2AF10GAA
SCHEMBL7650417 0.82 PKM (0.61) PKMMEN1RAB9AKMT2AF10
SCHEMBL7071507 0.82 MAPT (0.59) PKMKMT2AF10GAAALDH1A1
SCHEMBL10081830 0.82 CNR1 (0.72) PKMMEN1RAB9AKMT2AGAA

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