SCHEMBL7654095

SCHEMBL7654095

Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)Nc3ccc(C(=N)N)cc3)CC2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 1/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 2/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PLAU P00749 1/20 0.45
HPN P05981 1/20 0.45
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL7071435 0.85 KMT2A (0.64) GAAALDH1A1MAPTNPC1KMT2A
SCHEMBL7074841 0.84 KMT2A (0.45) GAAALDH1A1MAPTNPC1KMT2A
SCHEMBL7651893 0.80 KMT2A (0.53) GAAALDH1A1MAPTNPC1KMT2A
SCHEMBL7073684 0.79 F2 (0.55) GAAALDH1A1MAPTNPC1KMT2A
SCHEMBL7074868 0.79 KMT2A (0.52) GAAALDH1A1MAPTNPC1KMT2A
SCHEMBL7649390 0.78 KMT2A (0.56) GAAALDH1A1MAPTNPC1KMT2A
SCHEMBL7652755 0.78 MAPT (0.59) GAAALDH1A1MAPTNPC1KMT2A
SCHEMBL7649409 0.77 F10 (0.60) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL7649509 0.76 GAA (0.61) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL7654506 0.76 GAA (0.53) GAAMAPTKMT2AMEN1NPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed