SCHEMBL20769731

SCHEMBL20769731

O=C(O)Cc1cn(Cc2ccccc2Br)c2ccc(Cl)cc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
PPARD Q03181 3/20 0.50
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
PLA2G2A P14555 4/20 0.47
ICMT O60725 3/20 0.46
TBXAS1 P24557 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PLA2G4A P47712 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
HTR6 P50406 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL20769651 0.88 ALDH1A1 (0.60) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL20769700 0.86 LMNA (0.75) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL20769679 0.83 ALDH1A1 (0.55) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL20769719 0.82 ALDH1A1 (0.65) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL20791852 0.82 ALDH1A1 (0.54) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL20769743 0.81 LMNA (0.82) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL20769663 0.80 ALDH1A1 (0.56) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL20769668 0.79 ALDH1A1 (0.56) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL20769653 0.79 ALDH1A1 (0.61) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL27773529 0.79 HTR6 (0.50) ALDH1A1LMNAFNTAFNTBHTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019046668-A1 AMIDE SUBSTITUTED THIAZOLES AS PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-03-07 WO disclosed
WO-2019046668-A1 AMIDE SUBSTITUTED THIAZOLES AS PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-03-07 WO disclosed