SCHEMBL6151772

SCHEMBL6151772

O=C(c1ccc(-c2ncc[nH]2)cc1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.57
ATM Q13315 1/20 0.55
F2 P00734 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL7364117 0.89 F10 (0.68) F10ATMSMN1; SMN2GAA
Hydrochloric Acid SCHEMBL5734564 0.84 F10 (0.54) F10ATMF2SMN1; SMN2GAA
SCHEMBL6930063 0.84 F10 (0.66) F10
SCHEMBL5193868 0.84 ATM (0.71) F10ATMF2SMN1; SMN2GAA
SCHEMBL7430344 0.84 F10 (0.44) F10
Hydrochloric Acid SCHEMBL6195419 0.83 ATM (0.69) F10ATMF2SMN1; SMN2GAA
SCHEMBL5735457 0.82 F10 (0.58) F10ATMF2
SCHEMBL6195355 0.82 ATM (0.61) F10ATMSMN1; SMN2GAA
Hydrochloric Acid SCHEMBL6198123 0.81 ATM (0.60) F10ATMSMN1; SMN2GAA
SCHEMBL6734091 0.81 F10 (0.57) F10ATMF2SMN1; SMN2

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-1082303-B1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 2005-01-26 EP disclosed
US-6395731-B1 ANTICOAGULANTS ASTRAZENECA AB (SE) 2002-05-28 US disclosed
EP-1082303-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA AstraZeneca AB (SE) 2001-03-14 EP disclosed
WO-1999057099-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 1999-11-11 WO disclosed