SCHEMBL21048916

SCHEMBL21048916

COc1ccc(N(C)S(=O)(=O)c2cccnc2)c(CN)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.53
CYP11B2 P19099 2/20 0.53
GAA P10253 1/20 0.47
KEAP1 Q14145 4/20 0.47
NFE2L2 Q16236 4/20 0.47
PGR P06401 1/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CG P48736 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41

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
Hydrochloric Acid SCHEMBL17258979 0.99 CYP11B1 (0.52) CYP11B1CYP11B2GAAKEAP1NFE2L2
Hydrochloric Acid SCHEMBL21048941 0.84 KEAP1 (0.56) KEAP1NFE2L2PGRLMNAMAPT
SCHEMBL17258875 0.83 KEAP1 (0.50) CYP11B1CYP11B2GAAKEAP1NFE2L2
Hydrochloric Acid SCHEMBL17258967 0.81 C5AR1 (0.40) CYP11B1CYP11B2KEAP1NFE2L2HPGD
Hydrochloric Acid SCHEMBL21048836 0.75 PGR (0.56) CYP11B1CYP11B2KEAP1NFE2L2PGR
SCHEMBL26617615 0.72 KDM4E (0.53) CYP11B1CYP11B2KEAP1NFE2L2HPGD
SCHEMBL30876286 0.72 KEAP1 (0.56) CYP11B1GAAKEAP1NFE2L2MAPT
Hydrochloric Acid SCHEMBL21048898 0.71 KEAP1 (0.46) KEAP1NFE2L2PGRHPGDLMNA
SCHEMBL29910182 0.69 TAS2R14 (0.61) KEAP1NFE2L2LMNAMAPTKDM4E
SCHEMBL28773435 0.69 TAS2R14 (0.61) KEAP1NFE2L2LMNAMAPTKDM4E

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-3143021-B1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER (US) 2019-06-12 EP disclosed