SCHEMBL7077520

SCHEMBL7077520

CCCCCCCCCCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3noc(C)n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
TSHR P16473 2/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PLA2G2A P14555 9/20 0.49
MGLL Q99685 1/20 0.47
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
THRB P10828 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
PLK1 P53350 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL7074575 0.87 HDAC4 (0.48) LMNATSHRALDH1A1SMN1; SMN2PLA2G2A
SCHEMBL7074002 0.82 LMNA (0.54) LMNASMN1; SMN2PLA2G2AMGLLHTT
SCHEMBL7075196 0.82 MGLL (0.54) LMNATSHRALDH1A1MGLLHDAC4
SCHEMBL7070015 0.81 LMNA (0.57) LMNASMN1; SMN2PLA2G2AMGLLHTT
SCHEMBL7073717 0.81 TSHR (0.57) LMNATSHRALDH1A1SMN1; SMN2MGLL
SCHEMBL8080502 0.81 LMNA (0.44) LMNATSHRALDH1A1SMN1; SMN2GLA
SCHEMBL7074530 0.80 THRB (0.52) LMNASMN1; SMN2THRBNPC1HTT
SCHEMBL7069910 0.79 MGLL (0.52) LMNATSHRMGLLHDAC4HDAC2
SCHEMBL7070564 0.78 LMNA (0.49) LMNAALDH1A1SMN1; SMN2MGLLTHRB
SCHEMBL7648125 0.78 PLA2G2A (0.56) PLA2G2AMGLLHDAC4HDAC2HDAC8

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 4 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
EP-1025086-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2000-08-09 EP disclosed
WO-1999016751-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 1999-04-08 WO disclosed