SCHEMBL28286558

SCHEMBL28286558

Cc1ccc[nH]1.Cn1c(=O)cc(Cl)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
HTT P42858 1/20 0.40
GAA P10253 2/20 0.39
TP53 P04637 1/20 0.39
YTHDF2 Q9Y5A9 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 4/20 0.36
BRCA1 P38398 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
PGR P06401 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL220198 0.82 KMT2A (0.51) KMT2AMEN1SMN1; SMN2HTTGAA
Hydrochloric Acid SCHEMBL30517206 0.80 KMT2A (0.50) KMT2AMEN1SMN1; SMN2HTTGAA
SCHEMBL2632820 0.68 YTHDF2 (0.52) KMT2AMEN1SMN1; SMN2HTTGAA
SCHEMBL47202 0.67
Bromide SCHEMBL15820960 0.65
Hydrogen Sulfide SCHEMBL29094906 0.65
SCHEMBL29278232 0.65
SCHEMBL27646532 0.65
SCHEMBL28875380 0.65
SCHEMBL27859705 0.65

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-109503551-A The preparation method of one koji Ge Lieting 安阳师范学院 2019-03-22 CN claimed