Sugi Predict

Sugi Predict / Compounds / SCHEMBL5328237

SCHEMBL5328237

SCHEMBL5328237

Cn1nc(C(C2CCNCC2)N2C(=O)CN(S(=O)(=O)c3ccc4c(Cl)c[nH]c4c3)CC2C(=O)O)ccc1=O.Cn1nc(N2CCC(CN3C(=O)CN(S(=O)(=O)c4ccc5c(Cl)c[nH]c5c4)CC3C(=O)N3CCOCC3)CC2)ccc1=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL5328234 0.90 KMT2A (0.36) MEN1TSHRKMT2A
SCHEMBL4890486 0.89 KMT2A (0.38) MEN1TSHRKMT2A
SCHEMBL4886287 0.89 KMT2A (0.38) MEN1TSHRKMT2A
SCHEMBL4891017 0.89 KMT2A (0.38) MEN1TSHRKMT2A
SCHEMBL4883307 0.86 GAA (0.32) —
SCHEMBL4891902 0.84 HRH3 (0.34) MEN1TSHRKMT2A
SCHEMBL4892722 0.84 HRH3 (0.34) MEN1TSHRKMT2A
SCHEMBL4891898 0.84 HRH3 (0.34) MEN1TSHRKMT2A
SCHEMBL4885059 0.84 F2 (0.36) MEN1KMT2A
SCHEMBL4883292 0.84 F2 (0.36) MEN1KMT2A

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-2007008142-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 — — WO disclosed