SCHEMBL29959966

SCHEMBL29959966

CN(C=O)[13c]1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 7/20 0.43
ALOX15 P16050 4/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GLA P06280 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
RELA Q04206 1/20 0.38
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
CA2 P00918 2/20 0.38

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
SCHEMBL1332400 1.00 MEN1 (0.48) MEN1KMT2AHTTALDH1A1ALOX15
SCHEMBL5526432 1.00 MEN1 (0.48) MEN1KMT2AHTTALDH1A1ALOX15
SCHEMBL66606 1.00 MEN1 (0.48) MEN1KMT2AHTTALDH1A1ALOX15
Dimethylformamide SCHEMBL6630207 0.95 MEN1 (0.44) MEN1KMT2AHTTALDH1A1ALOX15
SCHEMBL8313257 0.89 MEN1 (0.50) MEN1KMT2AHTTALDH1A1ALOX15
SCHEMBL8007098 0.87 ALDH1A1 (0.40) MEN1KMT2AHTTALDH1A1ALOX15
SCHEMBL1300945 0.86 TAAR1 (0.42) MEN1KMT2AHTTALDH1A1HPGD
Dimethylformamide SCHEMBL7598534 0.85 MEN1 (0.47) MEN1KMT2AHTTALDH1A1ALOX15
Dimethylformamide SCHEMBL7591185 0.84 MEN1 (0.36) MEN1KMT2AHTTALDH1A1ALOX15
Dimethylformamide SCHEMBL7593237 0.84 POLB (0.39) MEN1KMT2AHTTALDH1A1ALOX15

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
CN-113527021-B Preparation method of formamide compound 大连理工大学 2022-11-18 CN disclosed