SCHEMBL28200081

SCHEMBL28200081

NNP(=O)(O)Oc1c(Cl)ccc(Cl)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
ALPL P05186 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31
CA14 Q9ULX7 1/20 0.31
SFN P31947 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
INPPL1 O15357 1/20 0.31
AKT1 P31749 1/20 0.31
INPP5A Q14642 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL28200093 0.81 INPPL1 (0.33) ALDH1A1ALPLMMP8MMP14CA14
SCHEMBL28200207 0.76 CA1 (0.40) ALDH1A1KDM4EGAACA14HSD17B10
SCHEMBL28046072 0.71 LMNA (0.59) GAASFNLMNASMN1; SMN2INPPL1
SCHEMBL28045406 0.70 MEN1 (0.57) ALDH1A1KDM4EGAAMMP8MMP14
SCHEMBL28856235 0.69 LMNA (0.39) ALDH1A1KDM4EGAAMMP8MMP14
SCHEMBL28200127 0.69 INPPL1 (0.37) ALDH1A1GAACA14LMNAINPPL1
SCHEMBL28856233 0.69 ALDH1A1 (0.38) ALDH1A1KDM4ECA14INPPL1INPP5A
Phosphoric Acid SCHEMBL20984679 0.66 ALDH1A1 (0.36) ALDH1A1ALPLKDM4EGAAMMP8
SCHEMBL28049339 0.66 CYP1A2 (0.53) ALDH1A1GAALMNA
SCHEMBL3257700 0.66 INPPL1 (0.44) ALDH1A1KDM4EINPPL1AKT1INPP5A

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