SCHEMBL5326100

SCHEMBL5326100

CN(CCn1nc(-c2ccc(CN3CCN(S(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3=O)cc2)ccc1=O)C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.58
KCNH2 Q12809 1/20 0.41
KLK1 P06870 1/20 0.40

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
SCHEMBL5324898 0.89 F10 (0.66) F10KCNH2KLK1
SCHEMBL5329273 0.88 F10 (0.57) F10KCNH2KLK1
SCHEMBL5320853 0.84 F10 (0.65) F10KCNH2KLK1
SCHEMBL5324672 0.83 F10 (0.64) F10KCNH2KLK1
Hydrochloric Acid SCHEMBL5322543 0.83 F10 (0.63) F10KCNH2KLK1
SCHEMBL5090987 0.81 F10 (0.61) F10KCNH2KLK1
SCHEMBL5330237 0.78 GLA (0.36) F10
SCHEMBL5088795 0.76 F10 (0.63) F10KLK1
SCHEMBL5328255 0.75 F10 (0.69) F10KCNH2KLK1
SCHEMBL5321809 0.75 F10 (0.68) F10KCNH2KLK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007008144-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO disclosed