SCHEMBL7069968

SCHEMBL7069968

N=C(N)c1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
LMNA P02545 2/20 0.58
CNR1 P21554 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
USP2 O75604 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 1/20 0.53
PARP1 P09874 1/20 0.53
CACNA1B Q00975 1/20 0.52
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51
F10 P00742 1/20 0.51
PKM P14618 1/20 0.50
PKLR P30613 1/20 0.50

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 SCHEMBL27550445 0.96 GAA (0.57) GAALMNACNR1L3MBTL1POLB
SCHEMBL1945062 0.82 L3MBTL1 (0.80) GAALMNACNR1L3MBTL1SMN1; SMN2
SCHEMBL1429534 0.81 L3MBTL1 (0.66) GAALMNACNR1L3MBTL1POLB
SCHEMBL7074277 0.81 F10 (0.67) GAALMNAL3MBTL1SMN1; SMN2F10
SCHEMBL9613675 0.80 F10 (0.63) GAALMNAL3MBTL1POLBUSP2
SCHEMBL7071911 0.80 L3MBTL1 (0.61) GAALMNACNR1L3MBTL1POLB
SCHEMBL7074108 0.80 F10 (0.54) GAALMNAL3MBTL1POLBUSP2
SCHEMBL7074160 0.80 F10 (0.54) GAALMNAL3MBTL1POLBUSP2
SCHEMBL751856 0.79 ALDH1A1 (0.61) GAALMNACNR1L3MBTL1POLB
SCHEMBL7075851 0.79 USP2 (0.61) GAALMNAL3MBTL1POLBUSP2

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