Sugi Predict

Sugi Predict / Compounds / SCHEMBL7364117

SCHEMBL7364117

SCHEMBL7364117

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

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.68
▸ ATM Q13315 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ GAA P10253 1/20 0.48
▸ LMNA P02545 2/20 0.47

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
SCHEMBL6151772 0.89 F10 (0.57) F10ATMSMN1; SMN2GAA
SCHEMBL5733762 0.84 F10 (0.72) F10ATMSMN1; SMN2GAALMNA
SCHEMBL6306256 0.82 F10 (0.67) F10ATMSMN1; SMN2GAA
SCHEMBL6299380 0.81 F10 (0.66) F10ATMSMN1; SMN2MAPTGAA
SCHEMBL6299384 0.81 F10 (0.66) F10ATMSMN1; SMN2GAALMNA
SCHEMBL6304930 0.81 F10 (0.69) F10ATMSMN1; SMN2MAPTGAA
SCHEMBL6300303 0.81 F10 (0.68) F10ATMSMN1; SMN2MAPTGAA
SCHEMBL6300113 0.80 F10 (0.65) F10ATMSMN1; SMN2MAPTGAA
SCHEMBL6152253 0.80 F10 (0.65) F10ATMMAPTGAALMNA
SCHEMBL6152438 0.80 F10 (0.65) F10ATMSMN1; SMN2MAPTLMNA

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-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