SCHEMBL28548217

SCHEMBL28548217

Fc1ccc(NC#Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
KMT2A Q03164 6/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
NOX1 Q9Y5S8 1/20 0.39
GFER P55789 1/20 0.38
MEN1 O00255 4/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NFE2L2 Q16236 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL929237 0.85 APP (0.52) APPKMT2ANPC1RAB9AMEN1
SCHEMBL29429053 0.81 APP (0.55) APPKMT2ANPC1RAB9AMEN1
SCHEMBL28649524 0.80 MAPT (0.59) APPKMT2ANPC1RAB9AMEN1
SCHEMBL28549450 0.80 HPGD (0.48) APPKMT2ANPC1RAB9AMEN1
SCHEMBL28953063 0.76 NPC1 (0.56) APPKMT2ANPC1RAB9AGFER
SCHEMBL6117721 0.75 MAPT (0.44) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL717468 0.75 APP (0.67) APPKMT2ANPC1MEN1MAPT
SCHEMBL18867945 0.75 APP (0.67) APPKMT2ANPC1MEN1MAPT
SCHEMBL28797622 0.73 ALDH1A1 (0.50) APPKMT2ANPC1RAB9AMEN1
SCHEMBL28649522 0.72 MAPT (0.59) APPKMT2ANPC1RAB9AGFER

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-112552242-B Method for synthesizing cinnoline salt compound 温州大学 2022-04-08 CN disclosed
CN-112552242-A Method for synthesizing cinnoline salt compound 温州大学 2021-03-26 CN disclosed