SCHEMBL7070455

SCHEMBL7070455

CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4noc(C)n4)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
LMNA P02545 3/20 0.55
HTT P42858 2/20 0.55
HPGD P15428 1/20 0.55
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
USP2 O75604 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.48

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
SCHEMBL7074222 0.88 LMNA (0.62) LMNAHTTGAASMN1; SMN2KMT2A
SCHEMBL7074109 0.86 ALDH1A1 (0.48) CYP3A4LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL7071746 0.86 MEN1 (0.54) LMNAHTTGAASMN1; SMN2KMT2A
SCHEMBL7071582 0.86 LMNA (0.60) LMNAHTTGAASMN1; SMN2KMT2A
SCHEMBL7075122 0.86 LMNA (0.65) LMNAHTTSMN1; SMN2ALDH1A1USP2
SCHEMBL7132172 0.84 ALDH1A1 (0.54) LMNAHTTGAASMN1; SMN2KMT2A
SCHEMBL7074809 0.84 LMNA (0.53) LMNAHTTGAASMN1; SMN2KMT2A
SCHEMBL7071901 0.84 LMNA (0.50) LMNAHTTGAASMN1; SMN2KMT2A
SCHEMBL7069983 0.84 LMNA (0.58) LMNAHTTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7073993 0.83 ALDH1A1 (0.60) LMNAHTTSMN1; SMN2KMT2AMEN1

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