SCHEMBL7069936

SCHEMBL7069936

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MCOLN3 Q8TDD5 2/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
THRB P10828 1/20 0.49
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.47
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
SCHEMBL7069907 0.92 VCAM1 (0.52) SMN1; SMN2KMT2AMEN1L3MBTL1LMNA
SCHEMBL7074664 0.88 THRB (0.53) SMN1; SMN2KMT2AMEN1THRBGAA
SCHEMBL7073993 0.87 ALDH1A1 (0.60) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL7069359 0.84 THRB (0.48) SMN1; SMN2KMT2AMEN1THRBGAA
SCHEMBL8073643 0.84 ALDH1A1 (0.56) SMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL7074222 0.83 LMNA (0.62) SMN1; SMN2KMT2AMEN1L3MBTL1THRB
SCHEMBL7076713 0.83 RAB9A (0.54) SMN1; SMN2KMT2AMEN1THRBLMNA
SCHEMBL7075993 0.83 ATM (0.66) SMN1; SMN2KMT2AMEN1L3MBTL1GAA
SCHEMBL7074172 0.82 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AMEN1THRBGAA
SCHEMBL7076646 0.82 ALDH1A1 (0.50) KMT2AMEN1L3MBTL1THRBGAA

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