SCHEMBL7074809

SCHEMBL7074809

CCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4noc(C)n4)cc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
THRB P10828 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MGLL Q99685 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL7070564 0.92 LMNA (0.49) LMNAMAPTSMN1; SMN2HTTNPSR1
SCHEMBL7070015 0.91 LMNA (0.57) LMNAMAPTSMN1; SMN2HTTNPSR1
SCHEMBL7074222 0.90 LMNA (0.62) LMNASMN1; SMN2HTTNPSR1THRB
SCHEMBL7074002 0.90 LMNA (0.54) LMNASMN1; SMN2HTTNPSR1CYP2D6
SCHEMBL8075470 0.89 LMNA (0.46) LMNAMAPTSMN1; SMN2HTTNPSR1
SCHEMBL7071746 0.88 MEN1 (0.54) LMNASMN1; SMN2HTTNPSR1CYP2D6
SCHEMBL7071582 0.88 LMNA (0.60) LMNASMN1; SMN2HTTNPSR1CYP2D6
SCHEMBL7075122 0.88 LMNA (0.65) LMNASMN1; SMN2HTTNPSR1THRB
SCHEMBL7071903 0.87 LMNA (0.47) LMNASMN1; SMN2HTTNPSR1THRB
SCHEMBL7132172 0.86 ALDH1A1 (0.54) LMNASMN1; SMN2HTTNPSR1CYP2D6

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