SCHEMBL7430344

SCHEMBL7430344

O=C(c1ccc(-c2ncc[nH]2)cc1)N1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3o2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.44
KLK1 P06870 1/20 0.44
FASN P49327 2/20 0.43
HRH4 Q9H3N8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6306860 0.85 LSS (0.50) F10KLK1FASNHRH4MEN1
SCHEMBL6151772 0.84 F10 (0.57) F10
SCHEMBL6930063 0.81 F10 (0.66) F10KLK1
SCHEMBL6736928 0.80 HRH4 (0.45) F10KLK1FASNHRH4MEN1
SCHEMBL6725737 0.78 LSS (0.50) F10KLK1FASNMEN1KMT2A
SCHEMBL6422301 0.78 LSS (0.54) F10HRH4MEN1KMT2AL3MBTL1
SCHEMBL6730941 0.73 MEN1 (0.43) F10KLK1FASNMEN1KMT2A
SCHEMBL7364117 0.73 F10 (0.68) F10
SCHEMBL5735802 0.71 CNR1 (0.44) F10HRH4KMT2AL3MBTL1NPC1
SCHEMBL6298889 0.70 USP2 (0.56) HRH4MEN1KMT2AL3MBTL1NPC1

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-1082321-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA AstraZeneca AB (SE) 2001-03-14 EP disclosed
WO-1999057113-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 1999-11-11 WO disclosed