SCHEMBL6151827

SCHEMBL6151827

O=C(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.63
ATM Q13315 1/20 0.53
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
THRB P10828 1/20 0.45

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
SCHEMBL6152077 0.86 F10 (0.63) F10ATMMAPTSMN1; SMN2THRB
SCHEMBL6305027 0.85 F10 (0.66) F10ATMMAPTSMN1; SMN2
SCHEMBL6306689 0.83 F10 (0.63) F10ATMMAPTSMN1; SMN2THRB
SCHEMBL6152664 0.82 F10 (0.65) F10ATMMAPTTHRB
SCHEMBL5733762 0.82 F10 (0.72) F10ATMSMN1; SMN2
SCHEMBL6306256 0.82 F10 (0.67) F10ATMSMN1; SMN2
SCHEMBL6299380 0.81 F10 (0.66) F10ATMMAPTSMN1; SMN2
SCHEMBL6386353 0.81 F10 (0.66) F10ATMMAPTSMN1; SMN2THRB
SCHEMBL6152253 0.80 F10 (0.65) F10ATMMAPTTHRB
SCHEMBL6300113 0.80 F10 (0.65) F10ATMMAPTSMN1; 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