Sugi Predict

Sugi Predict / Compounds / SCHEMBL12863537

SCHEMBL12863537

SCHEMBL12863537

CC(C)CN(c1ccc(Cl)cc1OCc1ccc(/C=C/C(=O)O)cc1)S(=O)(=O)c1ccco1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 7/20 0.43
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NR1H4 Q96RI1 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTT P42858 1/20 0.37
▸ POLB P06746 1/20 0.36

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
SCHEMBL1139142 1.00 AKR1C3 (0.43) AKR1C3LMNAKDM4ENR1H4TP53
SCHEMBL1139316 0.90 AKR1C3 (0.44) AKR1C3LMNAKDM4ETP53HPGD
SCHEMBL1138848 0.88 NR1H4 (0.50) LMNAKDM4ENR1H4TP53HPGD
SCHEMBL1138745 0.88 KEAP1 (0.41) AKR1C3LMNAKDM4E
SCHEMBL2735695 0.88 KEAP1 (0.41) AKR1C3LMNAKDM4E
SCHEMBL2735694 0.88 AKR1C3 (0.45) AKR1C3LMNAKDM4E
SCHEMBL1138878 0.88 AKR1C3 (0.45) AKR1C3LMNAKDM4E
SCHEMBL1139396 0.82 NR1H4 (0.49) LMNAKDM4ENR1H4TP53HPGD
SCHEMBL1138631 0.81 AKR1C3 (0.45) AKR1C3LMNAKDM4E
SCHEMBL12863465 0.81 AKR1C3 (0.45) AKR1C3LMNAKDM4E

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
EP-0947500-B1 SULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-02-23 — — EP disclosed
Send feedback