SCHEMBL7077124

SCHEMBL7077124

CCCc1ccc(S(=O)(=O)N2CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
ALDH1A1 P00352 2/20 0.56
IKBKB O14920 1/20 0.53
CHUK O15111 1/20 0.53
GPR183 P32249 1/20 0.52
PKM P14618 1/20 0.50
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD11B1 P28845 1/20 0.49
CA2 P00918 1/20 0.49
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 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
SCHEMBL12075773 0.87 MAPT (0.63) MAPTALDH1A1PKMUSP2SMN1; SMN2
SCHEMBL15010487 0.85 USP2 (0.63) ALDH1A1PKMUSP2GAA
SCHEMBL8726108 0.84 MAPT (0.59) MAPTALDH1A1IKBKBCHUKPKM
SCHEMBL4555722 0.84 USP2 (0.67) MAPTUSP2SMN1; SMN2LMNAGAA
SCHEMBL13176134 0.81 LMNA (0.68) ALDH1A1USP2SMN1; SMN2LMNAGAA
SCHEMBL10037161 0.81 MAPT (0.63) MAPTALDH1A1PKMUSP2SMN1; SMN2
SCHEMBL160990 0.81 MAPT (0.63) MAPTALDH1A1PKMUSP2SMN1; SMN2
SCHEMBL8726088 0.81 MAPT (0.63) MAPTALDH1A1PKMUSP2SMN1; SMN2
SCHEMBL16026487 0.80 ALDH1A1 (0.69) MAPTALDH1A1PKMUSP2SMN1; SMN2
SCHEMBL16810277 0.80 MAPT (0.58) MAPTALDH1A1IKBKBCHUKPKM

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 5 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
CN-1272107-A Benzamidine derivatives as factor Xa inhibitors MERCK PATENT GMBH (DE) 2000-11-01 CN disclosed
EP-1025086-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2000-08-09 EP disclosed
WO-1999016751-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 1999-04-08 WO disclosed