SCHEMBL17613389

SCHEMBL17613389

C/C=c1/c(-c2cc(C(=O)O)ccc2F)ccc(NS(=O)(=O)c2c(C)n(C)c3ccccc23)/c1=C/CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 2/20 0.47
▸ FABP4 P15090 2/20 0.36
▸ PTK2B Q14289 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RAD52 P43351 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ RORC P51449 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ SRC P12931 1/20 0.32

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
SCHEMBL17599375 0.79 ACLY (0.49) ACLYFABP4PTK2BSMN1; SMN2KDM4E
SCHEMBL17599385 0.71 TSHR (0.47) ACLYFABP4PTK2BSMN1; SMN2MAPT
SCHEMBL17599370 0.69 ALDH1A1 (0.53) ACLYFABP4PTK2BSMN1; SMN2KDM4E
SCHEMBL17613353 0.69 FABP4 (0.38) ACLYFABP4PTK2BSMN1; SMN2BRD4
SCHEMBL17599320 0.69 SMN1; SMN2 (0.54) ACLYFABP4PTK2BSMN1; SMN2KDM4E
SCHEMBL17599305 0.67 ACLY (0.55) ACLYFABP4PTK2BSMN1; SMN2MCL1
SCHEMBL17599355 0.67 PTK2B (0.43) ACLYFABP4PTK2BSMN1; SMN2RAD52
SCHEMBL17599392 0.66 CCKBR (0.47) ACLYFABP4PTK2BSMN1; SMN2NPC1
SCHEMBL17599333 0.65 PTK2B (0.52) ACLYFABP4PTK2BSMN1; SMN2MEN1
SCHEMBL17599338 0.65 FABP4 (0.42) ACLYFABP4PTK2BSMN1; SMN2RAD52

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-2998294-A1 Naphthyl sulfonamide phenyl derivatives as KEAP-1 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders SANOFI (FR) 2016-03-23 — — EP disclosed
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