SCHEMBL28200110

SCHEMBL28200110

NNc1c(Cl)ccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
GAA P10253 4/20 0.39
POLB P06746 3/20 0.39
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 4/20 0.33
PNMT P11086 1/20 0.32
CYP2A6 P11509 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32

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
Hydrochloric Acid SCHEMBL20984623 0.97 MAPT (0.38) MAPTGAAPOLBLMNATDP1
Bromide SCHEMBL20984313 0.97 MAPT (0.38) MAPTGAAPOLBLMNATDP1
Phosphoric Acid SCHEMBL20984679 0.87 ALDH1A1 (0.36) MAPTGAAPOLBLMNATDP1
Sulfuric Acid SCHEMBL20984316 0.87 ALDH1A1 (0.38) MAPTGAAPOLBLMNATDP1
Oxalic Acid SCHEMBL20984292 0.87 ALDH1A1 (0.43) MAPTGAAPOLBLMNATDP1
Nitric Acid SCHEMBL20984130 0.83 TDP1 (0.42) MAPTGAAPOLBLMNATDP1
Hydrochloric Acid SCHEMBL15110990 0.79 LMNA (0.49) MAPTGAALMNAMEN1KMT2A
SCHEMBL18130156 0.75 CLCN2 (0.48) POLBTDP1ALDH1A1CA1CA2
SCHEMBL15127715 0.75 CLCN2 (0.49) MAPTGAAPOLBLMNAMEN1
SCHEMBL7713612 0.74 CYP3A4 (0.47) MAPTGAAPOLBLMNAMEN1

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