SCHEMBL20769653

SCHEMBL20769653

O=C(O)Cc1cn(CCc2ccccc2)c2ccc(Cl)cc12

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
PPARD Q03181 3/20 0.53
PPARG P37231 2/20 0.53
PPARA Q07869 2/20 0.53
PLA2G4A P47712 3/20 0.52
PLA2G2A P14555 2/20 0.50
ACLY P53396 1/20 0.49
MCL1 Q07820 3/20 0.49
TBXAS1 P24557 1/20 0.49
CDC25A P30304 1/20 0.49
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
ICMT O60725 2/20 0.48
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46

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
SCHEMBL20769700 0.90 LMNA (0.75) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL20769743 0.84 LMNA (0.82) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL20769719 0.83 ALDH1A1 (0.65) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL6769060 0.81 CREBBP (0.52) ALDH1A1LMNA
SCHEMBL20769651 0.81 ALDH1A1 (0.60) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL8181539 0.79 CDC25A (0.52) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL20769731 0.79 ALDH1A1 (0.58) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL20769736 0.79 ALDH1A1 (0.60) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL20789160 0.79 ADRA1D (0.43) ALDH1A1LMNAACLY
SCHEMBL20787986 0.79 PDE4A (0.47) ALDH1A1ACLY

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