SCHEMBL20769715

SCHEMBL20769715

O=C(O)Cc1cn(C2CCCC2)c2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.46
▸ AKR1C2 P52895 2/20 0.46
▸ PTGDR2 Q9Y5Y4 6/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ AKR1C4 P17516 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ SLC5A2 P31639 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYSLTR2 Q9NS75 1/20 0.39
▸ CYSLTR1 Q9Y271 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CNR2 P34972 1/20 0.37

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
SCHEMBL20769671 0.99 KCNH2 (0.45) AKR1C3AKR1C2PTGDR2KCNH2AKR1C4
SCHEMBL20769661 0.79 CNR1 (0.55) AKR1C3AKR1C2AKR1C4PTGS1ALDH1A1
SCHEMBL20769734 0.77 KCNA3 (0.46) AKR1C3AKR1C2PTGDR2AKR1C4PTGS1
SCHEMBL840616 0.76 PTGDR2 (0.75) PTGDR2ALDH1A1KMT2A
SCHEMBL24117805 0.75 PTGDR2 (0.53) PTGDR2KDM4EALDH1A1LMNAMEN1
SCHEMBL6242130 0.75 KMT2A (0.52) AKR1C3AKR1C2AKR1C4PTGS1KEAP1
SCHEMBL841162 0.75 PTGDR2 (0.79) PTGDR2
SCHEMBL20787964 0.74 PTGDR2 (0.53) PTGDR2KCNH2KDM4EALDH1A1LMNA
SCHEMBL28977349 0.73 AKR1C3 (0.58) AKR1C3AKR1C2PTGDR2AKR1C4PTGS1
SCHEMBL20769670 0.73 KCNH2 (0.59) AKR1C3AKR1C2KCNH2AKR1C4PTGS1

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
Send feedback