SCHEMBL30952883

SCHEMBL30952883

Fc1ccc2c(c1)NCN2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.37
HDAC1 Q13547 1/20 0.37
AHR P35869 2/20 0.37
NOX1 Q9Y5S8 1/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
IDO1 P14902 1/20 0.34
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL28517500 0.85 MAPT (0.48) HTR5AAHRNOX1MAPTKMT2A
SCHEMBL29458524 0.74 PARP10 (0.51) MAPTKMT2ACYP1A2CYP2C19MEN1
SCHEMBL18388811 0.71 HDAC1 (0.33) HDAC1
SCHEMBL8882756 0.70 CYP11B1 (0.50) MAPTKMT2ACYP1A2CYP2C19MEN1
SCHEMBL30509187 0.70 CYP11B1 (0.43) MAPTKMT2ACYP1A2CYP2C19MEN1
SCHEMBL620322 0.70 CYP11B1 (0.43) MAPTKMT2ACYP1A2CYP2C19MEN1
SCHEMBL24731749 0.70 CHEK1 (0.44) HTR5AHDAC1AHRNOX1
SCHEMBL4594991 0.70 MAPT (0.40) HDAC1MAPTKMT2AKDM4EMEN1
SCHEMBL29857954 0.70 MAPT (0.40) HDAC1MAPTKMT2AKDM4EMEN1
SCHEMBL8348811 0.70 MAPT (0.44) HTR5AHDAC1MAPTKMT2ACYP1A2

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-118406235-A High-temperature-resistant polyarylsulfone resin and preparation method thereof 吉林大学 2024-07-30 CN disclosed