SCHEMBL7076852

SCHEMBL7076852

COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(-c4noc(C)n4)cc3)CC2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 3/20 0.51
GAA P10253 3/20 0.50
PKM P14618 3/20 0.50
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 4/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
THRB P10828 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL7074464 0.87 POLB (0.59) MAPTPOLBGAAUSP2TP53
SCHEMBL7075108 0.86 GAA (0.48) MAPTL3MBTL1GAAPKMTP53
SCHEMBL7069977 0.86 PKM (0.55) GAAPKMLMNAKMT2AMAPK1
SCHEMBL7076669 0.85 GAA (0.53) MAPTPOLBGAAPKMUSP2
SCHEMBL7069975 0.84 GAA (0.60) MAPTGAAPKMTP53LMNA
SCHEMBL7071584 0.84 GAA (0.52) MAPTPOLBGAAPKMUSP2
SCHEMBL7074627 0.81 TSHR (0.57) MAPTPOLBGAAPKMLMNA
SCHEMBL7075151 0.81 HDAC4 (0.49) MAPTGAAPKMLMNAKMT2A
SCHEMBL7071507 0.80 MAPT (0.59) MAPTL3MBTL1POLBGAAPKM
SCHEMBL7074100 0.79 MAPT (0.53) MAPTPOLBGAAPKMLMNA

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