SCHEMBL19254979

SCHEMBL19254979

CON(C)C(O)c1ncc(C(=O)N(C)c2cccnc2)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
HTT P42858 2/20 0.35
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
MLYCD O95822 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
POLQ O75417 1/20 0.33
ALDH1A1 P00352 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
OXTR P30559 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL19872970 0.88 NOTUM (0.41) NOTUMTRPV1HTTPRMT5WDR77
SCHEMBL19520279 0.82 ALDH1A1 (0.50) NOTUMTRPV1HTTPRMT5WDR77
SCHEMBL20718652 0.81 TRPV1 (0.46) NOTUMTRPV1HTTMLYCDKDM4E
SCHEMBL19520248 0.80 GPBAR1 (0.42) NOTUMTRPV1HTTKDM4EKMT2A
SCHEMBL19211797 0.80 NOTUM (0.41) NOTUMTRPV1HTTMLYCDKDM4E
SCHEMBL19244949 0.78 NOTUM (0.46) NOTUMTRPV1HTTMLYCDKDM4E
SCHEMBL19242864 0.78 NOTUM (0.42) NOTUMTRPV1HTTMLYCDKDM4E
SCHEMBL19211883 0.78 ALDH1A1 (0.43) NOTUMTRPV1HTTMLYCDKDM4E
SCHEMBL21987107 0.77 TRPV1 (0.44) NOTUMTRPV1HTTMLYCDKDM4E
SCHEMBL19244948 0.77 TRPV1 (0.44) NOTUMTRPV1HTTMLYCDKDM4E

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-2017137319-A1 SUBSTITUTED -OXYIMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-08-17 WO disclosed