SCHEMBL30846809

SCHEMBL30846809

Cn1ccc2c(Cl)c([N+](=O)[O-])cnc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
PIN1 Q13526 8/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 1/20 0.39
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.37
ATM Q13315 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL12696551 1.00 GAA (0.43) GAAPIN1LMNAKMT2AHTR7
SCHEMBL30213788 0.83 GAA (0.44) GAAPIN1LMNAKMT2AHTR7
SCHEMBL12384855 0.83 GAA (0.44) GAAPIN1LMNAKMT2AHTR7
SCHEMBL26326228 0.82 GAA (0.43) GAAPIN1LMNAKMT2AHTR7
SCHEMBL25475022 0.81 GAA (0.42) GAAPIN1LMNAKMT2AHTR7
SCHEMBL18538833 0.81 GAA (0.42) GAALMNAKMT2AHTR7POLB
SCHEMBL12032333 0.80 PIN1 (0.37) PIN1LMNAKMT2APOLBALDH1A1
SCHEMBL29206027 0.79 LMNA (0.37) PIN1LMNAKMT2AKDM4EPOLB
SCHEMBL17963746 0.79 HTR7 (0.46) GAAPIN1LMNAKMT2AHTR7
SCHEMBL30846791 0.79 LMNA (0.37) PIN1LMNAKMT2AKDM4EPOLB

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-117843633-A Sulfoximine compounds, pharmaceutical compositions and uses thereof 上海海和药物研究开发股份有限公司 2024-04-09 CN disclosed