SCHEMBL7071685

SCHEMBL7071685

Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCc3cccc(C(=N)N)c3)CC2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.48
F10 P00742 2/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.46
PLG P00747 3/20 0.46
EPHX2 P34913 2/20 0.45
F2 P00734 1/20 0.45
PLAU P00749 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL7074868 0.89 KMT2A (0.52) KMT2AMEN1PKMMAPK1ALDH1A1
SCHEMBL7077118 0.85 ALDH1A1 (0.52) PKMALDH1A1POLBGAAPLG
SCHEMBL7071442 0.81 SMN1; SMN2 (0.56) PKMALDH1A1MAPTGAAPLG
SCHEMBL7074294 0.81 ALDH1A1 (0.54) KMT2AMEN1PKMF10ALDH1A1
SCHEMBL7074309 0.81 PKM (0.63) KMT2APKMF10ALDH1A1GAA
SCHEMBL7651893 0.81 KMT2A (0.53) KMT2AMEN1PKMMAPK1ALDH1A1
SCHEMBL7073640 0.80 PLG (0.56) KMT2APKMF10ALDH1A1POLB
SCHEMBL7074609 0.80 PLG (0.66) KMT2AMEN1PKMF10ALDH1A1
SCHEMBL7074560 0.79 PLG (0.57) F10ALDH1A1POLBPLGF2
SCHEMBL7074612 0.77 PLG (0.56) KMT2AMEN1PKMF10ALDH1A1

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