SCHEMBL28501477

SCHEMBL28501477

CC(Nc1cncc2ccccc12)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
HTT P42858 5/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 3/20 0.47
KMT2A Q03164 9/20 0.42
MEN1 O00255 6/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 3/20 0.42
KCNH3 Q9ULD8 1/20 0.40
HPGD P15428 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1A P35348 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL28510429 0.78 HTT (0.48) CRHBPCRHR2HTTALDH1A1GAA
SCHEMBL29199922 0.78 ADRA2A (0.61) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL28511396 0.76 KMT2A (0.67) CRHBPCRHR2HTTALDH1A1GAA
SCHEMBL28501475 0.75 CRHBP (0.50) CRHBPCRHR2HTTALDH1A1GAA
SCHEMBL28500108 0.75 ALDH1A1 (0.50) CRHBPCRHR2HTTALDH1A1GAA
SCHEMBL28506233 0.75 CRHBP (0.53) CRHBPCRHR2HTTALDH1A1GAA
SCHEMBL23202939 0.72 MAPT (0.51) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL30827819 0.72 MAPT (0.51) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL7860138 0.72 CRHBP (0.58) CRHBPCRHR2HTTALDH1A1GAA
SCHEMBL28506922 0.72 ALDH1A1 (0.55) CRHBPCRHR2HTTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112204010-B Heterocyclic derivatives and uses thereof C&C新药研究所 2024-03-19 CN claimed
CN-112204010-A Heterocyclic derivatives and use thereof C&C新药研究所 2021-01-08 CN claimed
CN-112204010-B Heterocyclic derivatives and uses thereof C&C新药研究所 2024-03-19 CN disclosed
CN-112204010-A Heterocyclic derivatives and use thereof C&C新药研究所 2021-01-08 CN disclosed