SCHEMBL7069983

SCHEMBL7069983

COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4noc(C)n4)cc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
MAPT P10636 2/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 3/20 0.58
POLB P06746 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
PKM P14618 4/20 0.51
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.50
PKLR P30613 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL8080659 0.96 LMNA (0.55) LMNAMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL7074222 0.90 LMNA (0.62) LMNAHTTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7071746 0.88 MEN1 (0.54) LMNAHTTSMN1; SMN2ALDH1A1POLB
SCHEMBL7071582 0.88 LMNA (0.60) LMNAHTTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL7075122 0.88 LMNA (0.65) LMNAHTTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL7074464 0.87 POLB (0.59) LMNAMAPTPOLB
SCHEMBL7132172 0.86 ALDH1A1 (0.54) LMNAHTTSMN1; SMN2ALDH1A1PKM
SCHEMBL7074809 0.86 LMNA (0.53) LMNAMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL7071901 0.86 LMNA (0.50) LMNAHTTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL7073993 0.85 ALDH1A1 (0.60) LMNAHTTSMN1; SMN2ALDH1A1CA12

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