SCHEMBL20769657

SCHEMBL20769657

O=C(O)Cc1cn(-c2cccc(Cl)c2)c2ccc(Cl)cc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 8/20 0.53
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
KCNH2 Q12809 4/20 0.50
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
HPGD P15428 1/20 0.46
PTGER1 P34995 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
AKR1C4 P17516 1/20 0.45
PTGS1 P23219 1/20 0.45
SCN2B O60939 1/20 0.44
SCN1A P35498 1/20 0.44
SCN1B Q07699 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44

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
SCHEMBL20769670 0.89 KCNH2 (0.59) PLA2G4AKCNH2AKR1C3AKR1C2KEAP1
SCHEMBL20788555 0.82 ALDH1A1 (0.46) PLA2G4AALDH1A1LMNAKCNH2AKR1C3
SCHEMBL20769652 0.79 ALDH1A1 (0.44) PLA2G4AALDH1A1LMNAKCNH2AKR1C3
SCHEMBL20769743 0.78 LMNA (0.82) PLA2G4AALDH1A1LMNA
SCHEMBL8174649 0.78 ALDH1A1 (0.57) PLA2G4AALDH1A1LMNA
SCHEMBL6242130 0.77 KMT2A (0.52) ALDH1A1LMNAAKR1C3AKR1C2HPGD
SCHEMBL10946754 0.76 AKR1C3 (0.69) PLA2G4AALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL20769700 0.76 LMNA (0.75) PLA2G4AALDH1A1LMNA
SCHEMBL3116983 0.75 PLA2G4A (0.84) PLA2G4A
SCHEMBL8454150 0.75 HTR7 (0.56) PLA2G4AALDH1A1LMNASCN9A

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