SCHEMBL28200178

SCHEMBL28200178

N#CNNc1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
IDO1 P14902 1/20 0.49
KCNA5 P22460 1/20 0.47
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
GRM4 Q14833 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP7 P55210 1/20 0.42
ABCC9 O60706 1/20 0.41
KCNJ11 Q14654 1/20 0.41

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
Sulfuric Acid SCHEMBL28200120 0.90 MAPT (0.49) MAPTALDH1A1KMT2AMEN1IDO1
Oxalic Acid SCHEMBL28200075 0.90 MAPT (0.53) MAPTALDH1A1KMT2AMEN1IDO1
Phosphoric Acid SCHEMBL28200694 0.90 KCNA5 (0.51) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL27868085 0.80 MAPT (0.50) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL18630198 0.80 MAPT (0.50) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL5253033 0.80 MAPT (0.50) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL17192714 0.80 MAPT (0.50) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL9492682 0.79 MAPT (0.53) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL14042535 0.79 MAPT (0.58) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL953597 0.79 ALDH1A1 (0.56) MAPTALDH1A1KMT2AMEN1IDO1

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-107663161-A A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt 上海惠和化德生物科技有限公司 2018-02-06 CN disclosed