SCHEMBL22778308

SCHEMBL22778308

NCc1c(CN)c2ccccc2c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.56
TAAR1 Q96RJ0 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
LOXL2 Q9Y4K0 4/20 0.43
PRMT5 O14744 1/20 0.40
CYP2A6 P11509 1/20 0.39
HPRT1 P00492 1/20 0.36
PNMT P11086 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TNNI3 P19429 1/20 0.34
TNNT2 P45379 1/20 0.34
TNNC1 P63316 1/20 0.34
DPP4 P27487 2/20 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
SCHEMBL2249259 0.90 HTR2A (0.67) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL31613081 0.90 HTR2A (0.67) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL13900828 0.80 HTR2A (0.56) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL16005849 0.78 HTR2A (0.54) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL12657296 0.78 HTR2A (0.54) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL18963265 0.78 HTR2A (0.54) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL18963321 0.78 HTR2A (0.54) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL15721675 0.78 HTR2A (0.54) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL16712664 0.78 HTR2A (0.54) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL22278135 0.78 KDM4E (0.48) HTR2ATAAR1KDM4EALDH1A1GAA

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
US-10866236-B2 Detection of cleavage activity of an enzyme MOLOGIC LIMITED (GB) 2020-12-15 US disclosed