SCHEMBL28645752

SCHEMBL28645752

NCc1nc(CN)c(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.33
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL22551925 0.70 BACE1 (0.36) LOXL2
SCHEMBL29907666 0.70 BACE1 (0.36) LOXL2
SCHEMBL357848 0.70 AGBL2 (0.39) LOXL2
Hydrochloric Acid SCHEMBL18764622 0.69 AGBL2 (0.38) LOXL2
SCHEMBL18132263 0.69 LOXL2 (0.32) LOXL2
Hydrochloric Acid SCHEMBL2528216 0.69 AGBL2 (0.38) LOXL2
SCHEMBL13732029 0.67 NOS3 (0.39) LOXL2
SCHEMBL186568 0.67 HTT (0.39) LOXL2
Hydrochloric Acid SCHEMBL18764595 0.67 KDM4E (0.39) LOXL2
SCHEMBL6866870 0.67 PRMT5 (0.36) LOXL2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527262-B Refining method of delafloxacin and meglumine salt thereof 安徽普利药业有限公司 2022-07-15 CN disclosed
CN-113527262-A Refining method of delafloxacin and meglumine salt thereof 安徽普利药业有限公司 2021-10-22 CN disclosed