SCHEMBL29111149

SCHEMBL29111149

O=C1CC(OS(=O)(=O)c2ccccc2)CCCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
PARL Q9H300 1/20 0.36
ENPP3 O14638 3/20 0.35
ENPP1 P22413 3/20 0.35
ENPP2 Q13822 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTR6 P50406 1/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
CRBN Q96SW2 1/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 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
SCHEMBL14778778 0.78 MAPK1 (0.47) MAPK1PARLENPP3ENPP1ENPP2
SCHEMBL777222 0.78 MAPK1 (0.47) MAPK1PARLENPP3ENPP1ENPP2
SCHEMBL28974527 0.77 CYP2D6 (0.49) ENPP3ENPP1ENPP2ALDH1A1HTR6
SCHEMBL776802 0.76 MAPK1 (0.46) MAPK1PARLENPP3ENPP1ENPP2
SCHEMBL14778503 0.76 MAPK1 (0.46) MAPK1PARLENPP3ENPP1ENPP2
SCHEMBL14778152 0.76 MAPK1 (0.46) MAPK1PARLENPP3ENPP1ENPP2
SCHEMBL14779522 0.76 MAPK1 (0.46) MAPK1PARLENPP3ENPP1ENPP2
SCHEMBL14778901 0.76 MAPK1 (0.46) MAPK1PARLENPP3ENPP1ENPP2
SCHEMBL14779546 0.75 MAPK1 (0.45) MAPK1PARLENPP3ENPP1ENPP2
SCHEMBL10880644 0.75 MAPT (0.43) ALDH1A1MAPTCRBNKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805078-B Method for preparing 2,3, 4-trichloronitrobenzene through microchannel nitration 上海农帆生物科技有限公司 2023-09-29 CN claimed
CN-115353458-B Method for preparing aclonifen 上海农帆生物科技有限公司 2023-09-29 CN disclosed
CN-114805078-B Method for preparing 2,3, 4-trichloronitrobenzene through microchannel nitration 上海农帆生物科技有限公司 2023-09-29 CN disclosed