SCHEMBL7074464

SCHEMBL7074464

COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4noc(C)n4)cc3)CC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.59
GAA P10253 1/20 0.56
MAPT P10636 6/20 0.55
LMNA P02545 5/20 0.55
KMT2A Q03164 1/20 0.55
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
THRB P10828 2/20 0.53
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.52
GPBAR1 Q8TDU6 1/20 0.50
MAPK1 P28482 1/20 0.49
IDO1 P14902 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
SCHEMBL7069983 0.87 LMNA (0.58) POLBMAPTLMNA
SCHEMBL7076852 0.87 MAPT (0.54) POLBGAAMAPTLMNAKMT2A
SCHEMBL7074280 0.86 LMNA (0.57) POLBGAALMNAKMT2ATHRB
SCHEMBL7074664 0.85 THRB (0.53) GAAMAPTLMNAKMT2ATHRB
SCHEMBL7069359 0.85 THRB (0.48) GAALMNAKMT2ATHRBTP53
SCHEMBL7074222 0.85 LMNA (0.62) GAALMNAKMT2ATHRBMAPK1
SCHEMBL7076713 0.85 RAB9A (0.54) POLBMAPTLMNAKMT2ATHRB
SCHEMBL7075993 0.85 ATM (0.66) GAAMAPTLMNAKMT2AUSP2
SCHEMBL7074158 0.84 MEN1 (0.68) POLBGAAMAPTLMNAKMT2A
SCHEMBL8080659 0.84 LMNA (0.55) POLBMAPTLMNAKMT2A

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