SCHEMBL7076643

SCHEMBL7076643

CCCc1ccc(S(=O)(=O)N2CCN(OC(=O)Nc3ccc(-c4noc(C)n4)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.53
MAPT P10636 3/20 0.53
MAPK1 P28482 1/20 0.46
POLB P06746 4/20 0.44
HPGD P15428 3/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.42
KMT2A Q03164 2/20 0.41
MTOR P42345 1/20 0.41
ADRB2 P07550 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL7074156 0.88 LMNA (0.55) LMNAMAPTMAPK1POLBHPGD
SCHEMBL7649347 0.87 LMNA (0.53) LMNAMAPTPOLBKMT2ANPSR1
SCHEMBL7071592 0.84 LMNA (0.50) LMNAMAPTPOLBHPGDHTT
SCHEMBL7070051 0.83 LMNA (0.52) LMNAMAPTPOLBHPGDHTT
SCHEMBL7070564 0.81 LMNA (0.49) LMNAMAPTMAPK1HTTKMT2A
SCHEMBL7075110 0.81 LMNA (0.49) LMNAMAPTMAPK1POLBHPGD
SCHEMBL7071584 0.81 GAA (0.52) LMNAMAPTPOLBHTTTSHR
SCHEMBL7076863 0.80 LSS (0.49) LMNAMAPTMAPK1POLBTSHR
SCHEMBL7070226 0.80 THRB (0.54) LMNAMAPTPOLBHTTTSHR
SCHEMBL7076585 0.79 TSHR (0.47) LMNAMAPTMAPK1HTTTSHR

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 1 patent. 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