SCHEMBL20769734

SCHEMBL20769734

O=C(O)Cc1cn(C2CCc3ccccc32)c2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.46
▸ SLC5A2 P31639 1/20 0.43
▸ PTGDR2 Q9Y5Y4 4/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ AKR1C3 P42330 2/20 0.40
▸ AKR1C2 P52895 2/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ AKR1C4 P17516 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PDPK1 O15530 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ TBXA2R P21731 1/20 0.36

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
SCHEMBL20787969 0.78 KCNA3 (0.46) KCNA3SLC5A2PTGDR2CNR2
SCHEMBL20787985 0.78 KCNA3 (0.48) KCNA3SLC5A2PTGDR2CNR2NPSR1
SCHEMBL20769715 0.77 AKR1C3 (0.46) SLC5A2PTGDR2ALDH1A1LMNACNR2
SCHEMBL20769671 0.76 KCNH2 (0.45) SLC5A2PTGDR2ALDH1A1LMNAAKR1C3
SCHEMBL20769700 0.69 LMNA (0.75) ALDH1A1LMNACNR2MEN1KMT2A
SCHEMBL20769675 0.69 AKR1C3 (0.72) ALDH1A1LMNAAKR1C3AKR1C2AKR1C4
SCHEMBL6242130 0.69 KMT2A (0.52) ALDH1A1LMNAAKR1C3AKR1C2KEAP1
SCHEMBL20769653 0.68 ALDH1A1 (0.61) ALDH1A1LMNAAKR1C3AKR1C2PPARG
SCHEMBL20788555 0.68 ALDH1A1 (0.46) PTGDR2ALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL20769657 0.67 PLA2G4A (0.53) ALDH1A1LMNAAKR1C3AKR1C2KEAP1

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
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