SCHEMBL7074868

SCHEMBL7074868

Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C(=N)N)cc3)CC2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
PKM P14618 2/20 0.52
MAPK1 P28482 1/20 0.51
F2 P00734 1/20 0.51
PLG P00747 1/20 0.51
PRSS1 P07477 1/20 0.51
TPSAB1 Q15661 1/20 0.51
TPSD1 Q9BZJ3 1/20 0.51
TPSG1 Q9NRR2 1/20 0.51
ALDH1A1 P00352 6/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 3/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL7651893 0.89 KMT2A (0.53) KMT2AMEN1PKMMAPK1F2
SCHEMBL7071685 0.89 KMT2A (0.49) KMT2AMEN1PKMMAPK1F2
SCHEMBL7074639 0.84 ALDH1A1 (0.55) PKMF2PLGPRSS1TPSAB1
SCHEMBL7071435 0.83 KMT2A (0.64) KMT2AMEN1MAPK1ALDH1A1MAPT
SCHEMBL7076655 0.81 ALDH1A1 (0.55) KMT2APKMF2PLGPRSS1
SCHEMBL7075075 0.79 CNR1 (0.56) KMT2AMEN1PKMF2PLG
SCHEMBL7654095 0.79 GAA (0.53) KMT2AMEN1MAPK1ALDH1A1MAPT
SCHEMBL7073684 0.78 F2 (0.55) KMT2AMEN1MAPK1F2PRSS1
SCHEMBL7073594 0.78 PKM (0.72) KMT2AMEN1PKMF2PLG
SCHEMBL7076872 0.77 NAAA (0.55) KMT2APKMMAPK1F2PLG

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