SCHEMBL30360229

SCHEMBL30360229

N#CN=C=NNc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
KMT2A Q03164 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
MEN1 O00255 5/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CISD1 Q9NZ45 1/20 0.55
LMNA P02545 5/20 0.48
HTT P42858 4/20 0.48
RAPGEF3 O95398 4/20 0.42
RAPGEF4 Q8WZA2 2/20 0.42
GAA P10253 5/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 3/20 0.40
GFER P55789 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 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
Carbonyl Cyanide M-Chlorophenylhydrazone SCHEMBL28977410 0.89 MAPT (0.76) MAPTKMT2ASMN1; SMN2MEN1ALOX15
SCHEMBL379196 0.71 MAPT (0.57) MAPTKMT2ASMN1; SMN2MEN1ALOX15
Carbonyl Cyanide M-Chlorophenylhydrazone SCHEMBL379195 0.71 MAPT (1.00) MAPTKMT2ASMN1; SMN2MEN1ALOX15
Carbonyl Cyanide M-Chlorophenylhydrazone SCHEMBL29353613 0.71 MAPT (1.00) MAPTKMT2ASMN1; SMN2MEN1ALOX15
SCHEMBL3817543 0.70 MAPT (0.48) MAPTKMT2ASMN1; SMN2MEN1ALOX15
SCHEMBL3817544 0.70 MAPT (0.48) MAPTKMT2ASMN1; SMN2MEN1ALOX15
SCHEMBL2343565 0.69 MAPT (0.71) MAPTKMT2ASMN1; SMN2MEN1ALOX15
SCHEMBL15515688 0.69 MAPT (0.53) MAPTKMT2ASMN1; SMN2MEN1ALOX15
SCHEMBL28115196 0.69 MAPT (0.53) MAPTKMT2ASMN1; SMN2MEN1ALOX15
SCHEMBL28115197 0.69 MAPT (0.53) MAPTKMT2ASMN1; SMN2MEN1ALOX15

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-115894317-A Micromolecular compound with naphthylthiophenol ether structure and application thereof 杭州天玑济世生物科技有限公司 2023-04-04 CN disclosed