SCHEMBL20769652

SCHEMBL20769652

O=C(O)Cc1cn(-c2ccccn2)c2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
PLA2G4A P47712 2/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
HTR7 P34969 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TBXAS1 P24557 1/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
AKR1C4 P17516 1/20 0.41
PTGS1 P23219 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
KCNH2 Q12809 1/20 0.40
EPHX2 P34913 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL20769668 0.81 ALDH1A1 (0.56) ALDH1A1LMNAPLA2G4AKDM4ETBXAS1
SCHEMBL20788555 0.79 ALDH1A1 (0.46) ALDH1A1LMNAPLA2G4AAKR1C3AKR1C2
SCHEMBL20769657 0.79 PLA2G4A (0.53) ALDH1A1LMNAPLA2G4AAKR1C3AKR1C2
SCHEMBL20769670 0.78 KCNH2 (0.59) PLA2G4AAKR1C3AKR1C2AKR1C4PTGS1
SCHEMBL20769663 0.77 ALDH1A1 (0.56) ALDH1A1LMNAPLA2G4AAKR1C3AKR1C2
SCHEMBL20788566 0.76 MAT2A (0.43) ALDH1A1LMNAHTR7KDM4EMAPT
SCHEMBL20769700 0.74 LMNA (0.75) ALDH1A1LMNAPLA2G4APPARGPPARD
SCHEMBL3130548 0.73 PLA2G4A (0.72) PLA2G4A
SCHEMBL20769675 0.73 AKR1C3 (0.72) ALDH1A1LMNAAKR1C3AKR1C2HTR7
SCHEMBL6242130 0.72 KMT2A (0.52) ALDH1A1LMNAAKR1C3AKR1C2KDM4E

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