SCHEMBL7076646

SCHEMBL7076646

COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4noc(C)n4)cc3)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 5/20 0.50
HSP90AA1 P07900 2/20 0.48
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL7069983 0.84 LMNA (0.58) ALDH1A1MAPTLMNAPKML3MBTL1
SCHEMBL7069936 0.82 SMN1; SMN2 (0.60) ALDH1A1MAPTGAALMNATHRB
SCHEMBL7069907 0.81 VCAM1 (0.52) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL8080659 0.81 LMNA (0.55) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL7073993 0.80 ALDH1A1 (0.60) ALDH1A1LMNAKMT2AMEN1MGLL
SCHEMBL7074280 0.79 LMNA (0.57) GAAMAPK1LMNATHRBKMT2A
SCHEMBL7074464 0.78 POLB (0.59) MAPTGAAMAPK1LMNATHRB
SCHEMBL7074158 0.78 MEN1 (0.68) ALDH1A1MAPTGAALMNATHRB
SCHEMBL7075338 0.77 THRB (0.58) ALDH1A1MAPTMAPK1LMNATHRB
SCHEMBL8073643 0.77 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AMGLL

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