SCHEMBL7070554

SCHEMBL7070554

COc1ccc2ccc(S(=O)(=O)N3CCN(Cc4ccc(-c5noc(C)n5)cc4)CC3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
POLB P06746 3/20 0.52
LMNA P02545 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 3/20 0.50
KDM4E B2RXH2 3/20 0.50
CASP1 P29466 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
SLC2A1 P11166 1/20 0.47
HTT P42858 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45

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
SCHEMBL7074079 0.91 ALDH1A1 (0.63) MAPTPOLBLMNAALDH1A1MAPK1
SCHEMBL7074071 0.90 KDM4E (0.56) MAPTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL7997760 0.87 MAPT (0.47) MAPTPOLBLMNAALDH1A1MAPK1
SCHEMBL7076926 0.87 LSS (0.52) MAPTPOLBLMNAALDH1A1MAPK1
SCHEMBL7997616 0.86 MAPT (0.45) MAPTPOLBLMNASMN1; SMN2TSHR
SCHEMBL8003134 0.85 MAPT (0.48) MAPTPOLBLMNAALDH1A1MAPK1
SCHEMBL7075159 0.81 LSS (0.51) POLBLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL7069980 0.81 TSHR (0.54) MAPTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL7076863 0.80 LSS (0.49) MAPTPOLBLMNAALDH1A1MAPK1
SCHEMBL7069988 0.79 F10 (0.59) POLBLMNAALDH1A1MAPK1SMN1; SMN2

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