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Sugi Predict / Compounds / SCHEMBL7014798

SCHEMBL7014798

SCHEMBL7014798

CC(=O)ON=C(N)c1ccc(C(=O)NCCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(COc3cccn4c(=O)cc(C)nc34)c2Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 2/20 0.63
▸ RORC P51449 18/20 0.49

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
SCHEMBL7015550 0.94 BDKRB2 (0.65) BDKRB2RORC
SCHEMBL7006561 0.92 BDKRB2 (0.60) BDKRB2RORC
SCHEMBL7011823 0.92 BDKRB2 (0.60) BDKRB2RORC
SCHEMBL7011827 0.92 BDKRB2 (0.60) BDKRB2RORC
SCHEMBL7006563 0.92 BDKRB2 (0.60) BDKRB2RORC
SCHEMBL7018765 0.92 BDKRB2 (0.75) BDKRB2RORC
SCHEMBL7006073 0.91 BDKRB2 (0.60) BDKRB2RORC
SCHEMBL7006076 0.91 BDKRB2 (0.60) BDKRB2RORC
SCHEMBL7010138 0.91 BDKRB2 (0.62) BDKRB2RORC
SCHEMBL7010142 0.91 BDKRB2 (0.62) BDKRB2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991650-B1 NOVEL N-BENZENESULPHONYL-L-PROLINE COMPOUNDS, PREPARATION METHOD AND USE IN THERAPY FOURNIER IND & SANTE (FR) 2003-09-10 — — EP disclosed
EP-0991650-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE COMPOUNDS, PREPARATION METHOD AND USE IN THERAPY FOURNIER INDUSTRIE ET SANTE (FR) 2000-04-12 — — EP disclosed
WO-1999000387-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE COMPOUNDS, PREPARATION METHOD AND USE IN THERAPY FOURNIER INDUSTRIE ET SANTE (FR) 1999-01-07 — — WO disclosed