SCHEMBL7069907

SCHEMBL7069907

Cc1nc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)cc2)no1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.47
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
MGLL Q99685 1/20 0.45

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
SCHEMBL7069936 0.92 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AMEN1LMNAL3MBTL1
SCHEMBL7069359 0.89 THRB (0.48) SMN1; SMN2KMT2AMEN1LMNAATM
SCHEMBL7074664 0.87 THRB (0.53) SMN1; SMN2KMT2AMEN1LMNAATM
SCHEMBL7073993 0.86 ALDH1A1 (0.60) SMN1; SMN2KMT2AMEN1LMNAMGLL
SCHEMBL8072947 0.85 THRB (0.46) SMN1; SMN2KMT2AMEN1LMNAATM
SCHEMBL7071746 0.85 MEN1 (0.54) SMN1; SMN2KMT2AMEN1LMNAL3MBTL1
SCHEMBL8073643 0.85 ALDH1A1 (0.56) SMN1; SMN2KMT2ALMNAMGLL
SCHEMBL7070562 0.84 F10 (0.57) ATM
SCHEMBL7071596 0.83 LMNA (0.54) SMN1; SMN2KMT2AMEN1LMNAL3MBTL1
SCHEMBL7074222 0.83 LMNA (0.62) SMN1; SMN2KMT2AMEN1LMNAL3MBTL1

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