SCHEMBL7074867

SCHEMBL7074867

N=C(N)c1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.55
CNR1 P21554 2/20 0.52
GPR183 P32249 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
F2 P00734 4/20 0.49
PRSS1 P07477 1/20 0.48
TPSAB1 Q15661 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.48
TPSG1 Q9NRR2 1/20 0.48
F10 P00742 2/20 0.47
PLG P00747 1/20 0.47
GAA P10253 2/20 0.47
PKM P14618 2/20 0.47
ROCK2 O75116 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 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
SCHEMBL7074199 0.86 TGM2 (0.58) TGM2KMT2AF2PRSS1TPSAB1
SCHEMBL10064240 0.86 GAA (0.64) TGM2CNR1GPR183KMT2AMEN1
SCHEMBL7071342 0.85 CNR1 (0.57) TGM2CNR1GPR183KMT2AMEN1
SCHEMBL7071366 0.85 F2 (0.51) CNR1KMT2AF2PRSS1TPSAB1
SCHEMBL7074851 0.83 GAA (0.63) CNR1KMT2AF2PRSS1TPSAB1
SCHEMBL4277156 0.83 CNR1 (0.63) TGM2CNR1GPR183KMT2AMEN1
SCHEMBL7074428 0.82 PKM (0.62) CNR1KMT2AMEN1F2PRSS1
Acetic Acid SCHEMBL27538655 0.82 CNR1 (0.53) TGM2CNR1GPR183KMT2AMEN1
SCHEMBL7075152 0.79 CNR1 (0.51) CNR1F2PRSS1TPSAB1TPSD1
SCHEMBL7070017 0.79 DGAT1 (0.50) TGM2CNR1GPR183KMT2AMEN1

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