SCHEMBL9051471

SCHEMBL9051471

Cn1nnn(-c2ccccc2C=O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 5/20 0.37
TSHR P16473 1/20 0.37
NFE2L2 Q16236 3/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PABPC1 P11940 1/20 0.36
KCNN4 O15554 1/20 0.36
IMPDH2 P12268 1/20 0.34
GFER P55789 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33

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
SCHEMBL9050061 0.81 KCNN4 (0.39) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL9050067 0.81 KCNN4 (0.39) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL15856642 0.77 ALDH1A1 (0.45) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL19994311 0.76 NFE2L2 (0.35) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL7750762 0.76 MGLL (0.43) ALDH1A1SMN1; SMN2KDM4EKCNN4
SCHEMBL9052646 0.76 GSK3A (0.46) TSHRNFE2L2
SCHEMBL7750768 0.76 MGLL (0.43) ALDH1A1SMN1; SMN2KDM4EKCNN4
SCHEMBL19994408 0.75 NFE2L2 (0.34) MEN1KMT2ALMNANFE2L2HTT
SCHEMBL9051455 0.72 KCNN4 (0.36) MEN1KMT2AALDH1A1TSHRNFE2L2
SCHEMBL15856633 0.72 MGLL (0.35) LMNANFE2L2KCNN4

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-1996036229-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO disclosed