SCHEMBL28200743

SCHEMBL28200743

FNNc1cc(F)c(F)cc1F

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
Hydrochloric Acid SCHEMBL28200724 0.97 GAA (0.30) GAA
Oxalic Acid SCHEMBL28200712 0.87 GAA (0.36) GAACA12CA1CA2CA9
Phosphoric Acid SCHEMBL28200111 0.87 GAA (0.33) GAACA12CA1CA2CA9
Sulfuric Acid SCHEMBL28200148 0.87 CA1 (0.38) GAACA12CA1CA2CA9
SCHEMBL28856303 0.72 CA3 (0.41) GAACA9
SCHEMBL27257408 0.72 GAA (0.50) GAA
Hydrochloric Acid SCHEMBL28200126 0.70 CA3 (0.39) GAACA9
SCHEMBL20985014 0.70 GAA (0.42) GAACA12CA1CA2CA9
SCHEMBL9849607 0.69 MEN1 (0.32) CA12CA1CA2CA9
SCHEMBL15076589 0.69 CA1 (0.43) CA12CA1CA2CA9

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