SCHEMBL17599373

SCHEMBL17599373

Cc1ccc2c(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc(-c3cccc(C(=O)O)c3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ KEAP1 Q14145 4/20 0.43
▸ NFE2L2 Q16236 1/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ DNMT3B Q9UBC3 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ AGTR1 P30556 1/20 0.36
▸ GLO1 Q04760 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ SLC40A1 Q9NP59 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
SCHEMBL17599329 0.85 KMT2A (0.55) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL17599349 0.84 MEN1 (0.43) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL17613328 0.81 NR1H4 (0.39) AKR1C3AKR1C2NR1H4
SCHEMBL17599408 0.76 BRD4 (0.36) KMT2ADNMT3BMCL1
SCHEMBL17599510 0.75 KMT2A (0.53) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL17599396 0.75 KEAP1 (0.38) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL17599382 0.74 WDR5 (0.45) KMT2AKDM4EMEN1TSHRMCL1
SCHEMBL17599346 0.73 CDC25B (0.45) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL17599368 0.72 KDM4E (0.48) KMT2AKDM4EMEN1AKR1C3AKR1C2
SCHEMBL17599380 0.72 MEN1 (0.44) KMT2AALDH1A1KDM4EMEN1HPGD

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
Send feedback