SCHEMBL28633558

SCHEMBL28633558

CN1C=CN(F)C1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
BRD4 O60885 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDGFRB P09619 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
RAB9A P51151 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
SCHEMBL1830962 0.84 RECQL (0.44) GAARECQLPOLBALDH1A1CHRNB2
SCHEMBL17238245 0.75 GAA (0.36) GAARECQLPOLBALDH1A1CHRNB2
SCHEMBL5290702 0.73 MAPT (0.38) GAARECQLPOLBALDH1A1CHRNB2
Iodide SCHEMBL26097209 0.72 MAPT (0.37) GAARECQLPOLBALDH1A1CHRNB2
SCHEMBL3778884 0.72 GAA (0.37) GAARECQLPOLBTSHRNPSR1
SCHEMBL5287385 0.72 MAPT (0.40) GAARECQLPOLBALDH1A1MAPT
SCHEMBL13822700 0.71 GAA (0.36) GAARECQLPOLBALDH1A1CHRNB2
SCHEMBL5289455 0.71 DRD2 (0.42) GAARECQLPOLBMAPTTSHR
SCHEMBL5296270 0.69 MC4R (0.38) GAAALDH1A1TSHRNPSR1HPGD
SCHEMBL23225702 0.68 SLC6A2 (0.36) GAARECQLPOLBALDH1A1TSHR

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-113517470-A High-nickel high-voltage ternary lithium ion battery non-aqueous electrolyte and lithium ion battery 杉杉新材料(衢州)有限公司 2021-10-19 CN disclosed
CN-113394450-A Lithium cobaltate high-voltage lithium ion battery non-aqueous electrolyte and lithium ion battery 杉杉新材料(衢州)有限公司 2021-09-14 CN disclosed