SCHEMBL7074761

SCHEMBL7074761

CCCCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
F10 P00742 1/20 0.56
SPHK1 Q9NYA1 5/20 0.49
SPHK2 Q9NRA0 3/20 0.49
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GPR183 P32249 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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 SCHEMBL28743975 0.97 LMNA (0.58) LMNASMN1; SMN2F10SPHK1SPHK2
SCHEMBL7074251 0.97 LMNA (0.66) LMNASMN1; SMN2F10SPHK1SPHK2
Acetic Acid SCHEMBL28746408 0.94 LMNA (0.62) LMNASMN1; SMN2F10FAAHMGLL
SCHEMBL7071611 0.92 F10 (0.59) LMNASMN1; SMN2F10MAPTMAPK1
Acetic Acid SCHEMBL27525141 0.89 F10 (0.56) LMNASMN1; SMN2F10MAPTMAPK1
SCHEMBL7074608 0.88 F10 (0.61) LMNASMN1; SMN2F10MAPTMAPK1
Acetic Acid SCHEMBL27574150 0.85 F10 (0.58) LMNASMN1; SMN2F10MAPTMAPK1
SCHEMBL7074110 0.82 LMNA (0.53) LMNASMN1; SMN2F10L3MBTL1GPR183
SCHEMBL7076666 0.82 LMNA (0.72) LMNAF10MAPTMAPK1L3MBTL1
SCHEMBL7070008 0.82 GAA (0.56) LMNASMN1; SMN2F10GPR183ALDH1A1

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