SCHEMBL21056019

SCHEMBL21056019

N#Cc1ccc(F)c(C(=O)Nc2cccnc2)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.67
CYP11B2 P19099 7/20 0.66
CYP11B1 P15538 4/20 0.66
BRAF P15056 1/20 0.57
SGMS2 Q8NHU3 1/20 0.55
PPARG P37231 1/20 0.54
LMNA P02545 1/20 0.54
LRRK2 Q5S007 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KCNMA1 Q12791 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL8611362 0.90 CYP11B2 (0.67) GRM5CYP11B2CYP11B1BRAFSGMS2
SCHEMBL30437002 0.87 PPARG (0.62) GRM5CYP11B2CYP11B1BRAFSGMS2
SCHEMBL21055977 0.87 PPARG (0.62) GRM5CYP11B2CYP11B1BRAFSGMS2
SCHEMBL31171360 0.86 CYP11B2 (0.61) GRM5CYP11B2CYP11B1BRAFSGMS2
SCHEMBL13162545 0.85 CYP11B2 (0.64) GRM5CYP11B2CYP11B1BRAFSGMS2
SCHEMBL21056024 0.85 PPARG (0.72) CYP11B2CYP11B1BRAFSGMS2PPARG
SCHEMBL13162335 0.85 BRAF (0.76) CYP11B2CYP11B1BRAFSGMS2PPARG
SCHEMBL18161358 0.85 GRM5 (0.73) GRM5CYP11B2CYP11B1BRAFSGMS2
SCHEMBL21056003 0.84 PPARG (0.78) GRM5CYP11B2CYP11B1BRAFSGMS2
SCHEMBL30436387 0.84 PPARG (0.78) GRM5CYP11B2CYP11B1BRAFSGMS2

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-3498694-A1 NEW BENZAMIDE DERIVATIVES AS PPAR-GAMMA MODULATORS MEDIBIOFARMA, S.L. (ES) 2019-06-19 EP claimed
WO-2024211969-A1 PPARG MODULATORS Setonix Pharmaceuticals Pty Ltd (AU) 2024-10-17 WO disclosed
EP-3498694-A1 NEW BENZAMIDE DERIVATIVES AS PPAR-GAMMA MODULATORS MEDIBIOFARMA, S.L. (ES) 2019-06-19 EP disclosed