SCHEMBL7074294

SCHEMBL7074294

CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3cccc(C(=N)N)c3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
GAA P10253 2/20 0.54
TSHR P16473 1/20 0.54
PLG P00747 10/20 0.52
F10 P00742 6/20 0.51
PLAU P00749 6/20 0.51
ST14 Q9Y5Y6 6/20 0.51
F2 P00734 5/20 0.51
LMNA P02545 2/20 0.51
PKM P14618 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL7071442 0.89 SMN1; SMN2 (0.56) ALDH1A1GAAPLGLMNAPKM
SCHEMBL7074309 0.87 PKM (0.63) ALDH1A1GAAPLGF10F2
SCHEMBL7077118 0.87 ALDH1A1 (0.52) ALDH1A1GAAPLGLMNAPKM
SCHEMBL7073640 0.87 PLG (0.56) ALDH1A1GAAPLGF10PLAU
SCHEMBL7074609 0.86 PLG (0.66) ALDH1A1GAAPLGF10PLAU
SCHEMBL7074612 0.83 PLG (0.56) ALDH1A1GAAPLGF10PLAU
SCHEMBL7071685 0.81 KMT2A (0.49) ALDH1A1GAAPLGF10PLAU
SCHEMBL7074560 0.78 PLG (0.57) ALDH1A1PLGF10PLAUST14
SCHEMBL7075075 0.77 CNR1 (0.56) ALDH1A1GAAPLGF2LMNA
SCHEMBL7076655 0.77 ALDH1A1 (0.55) ALDH1A1GAATSHRPLGF10

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