SCHEMBL7074873

SCHEMBL7074873

CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
F10 P00742 1/20 0.48
GPR183 P32249 1/20 0.47
KMT2A Q03164 3/20 0.44
PLG P00747 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42

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
Acetic Acid SCHEMBL27550401 0.97 LMNA (0.46) LMNASMN1; SMN2F10GPR183KMT2A
SCHEMBL7071611 0.87 F10 (0.59) LMNASMN1; SMN2F10GPR183KMT2A
SCHEMBL7074110 0.86 LMNA (0.53) LMNASMN1; SMN2F10GPR183KMT2A
Acetic Acid SCHEMBL27525141 0.85 F10 (0.56) LMNASMN1; SMN2F10GPR183KMT2A
Acetic Acid SCHEMBL27538656 0.83 USP2 (0.51) LMNASMN1; SMN2F10GPR183KMT2A
SCHEMBL7076655 0.81 ALDH1A1 (0.55) LMNASMN1; SMN2F10GPR183KMT2A
SCHEMBL7070008 0.81 GAA (0.56) LMNASMN1; SMN2F10GPR183KMT2A
SCHEMBL7074251 0.81 LMNA (0.66) LMNASMN1; SMN2F10GPR183KMT2A
SCHEMBL7074137 0.81 F10 (0.62) LMNASMN1; SMN2F10KMT2APLG
SCHEMBL7074761 0.81 LMNA (0.61) LMNASMN1; SMN2F10GPR183KMT2A

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 4 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
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