SCHEMBL28200735

SCHEMBL28200735

N#CNNc1ccccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
TSHR P16473 3/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 5/20 0.44
CRHR1 P34998 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
AURKA O14965 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 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
Sulfuric Acid SCHEMBL28200172 0.89 GAA (0.45) KDM4ETSHRHSD17B10HPGDGAA
Oxalic Acid SCHEMBL28200140 0.89 GAA (0.53) KDM4ETSHRHSD17B10HPGDGAA
Phosphoric Acid SCHEMBL28200774 0.89 GAA (0.45) KDM4ETSHRHSD17B10HPGDGAA
SCHEMBL21486442 0.78 KDM4E (0.48) KDM4ETSHRHSD17B10HPGDGAA
SCHEMBL27884179 0.77 KDM4E (0.52) KDM4ETSHRHSD17B10HPGDGAA
SCHEMBL30804597 0.77 KDM4E (0.55) KDM4ETSHRHSD17B10HPGDGAA
SCHEMBL395135 0.77 KDM4E (0.55) KDM4ETSHRHSD17B10HPGDGAA
SCHEMBL30804592 0.77 KDM4E (0.55) KDM4ETSHRHSD17B10HPGDGAA
SCHEMBL28373458 0.74 CRHR1 (0.57) KDM4ETSHRHSD17B10HPGDGAA
SCHEMBL11497098 0.73 KDM4E (0.52) KDM4ETSHRHSD17B10HPGDGAA

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