SCHEMBL29427445

SCHEMBL29427445

CCOC(=O)Cn1nc(C)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 4/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 4/20 0.52
HTT P42858 3/20 0.52
TSHR P16473 2/20 0.52
HPGD P15428 2/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
GLS O94925 1/20 0.51

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
SCHEMBL13791090 0.87 GAA (0.54) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL15623056 0.86 GAA (0.56) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL15631894 0.83 ALDH1A1 (0.76) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL18953236 0.83 TSHR (0.51) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL28941012 0.83 GAA (0.57) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL13329858 0.83 KDM4E (0.50) KMT2AALDH1A1L3MBTL1KDM4EHTT
SCHEMBL29427421 0.82 KDM4E (0.44) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL3354341 0.81 HSD17B10 (0.65) KMT2AALDH1A1KDM4EHTTHPGD
SCHEMBL29427370 0.81 ALDH1A1 (0.44) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL1638661 0.79 L3MBTL1 (0.53) GAAKMT2AMEN1ALDH1A1CYP1A2

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-2022064453-A1 NEMATOCIDAL COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2022-03-31 WO disclosed