SCHEMBL21869337

SCHEMBL21869337

CNC(=O)c1c(Cl)c([N+](=O)[O-])c2n1CCC2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 9/20 0.33
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CDK2 P24941 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL22646464 0.78 SLC10A1 (0.49) SLC10A1
SCHEMBL22646308 0.77 ALDH1A1 (0.39) SLC10A1PTGS2PTGS1MAPK1KMT2A
SCHEMBL21869105 0.70 SLC10A1 (0.35) SLC10A1PTGS2PTGS1POLBKMT2A
SCHEMBL22646287 0.69 ALDH1A1 (0.36) SLC10A1PTGS2PTGS1MAPK1POLB
SCHEMBL21868845 0.64 MEN1 (0.36) SLC10A1PTGS2PTGS1POLBKMT2A
SCHEMBL21868951 0.63 ALDH1A1 (0.40) PTGS2PTGS1MAPK1POLBKMT2A
SCHEMBL24890429 0.61 MAPK1 (0.38) SLC10A1MAPK1POLBKMT2AALDH1A1
SCHEMBL21378308 0.61 MAPK1 (0.60) MAPK1KMT2AALDH1A1LMNAMAPT
SCHEMBL22646427 0.60 SLC10A1 (0.34) SLC10A1POLBKMT2AALDH1A1MAPT
SCHEMBL10917670 0.59 CYP1A2 (0.64) POLBKMT2AALDH1A1LMNAMAPT

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
EP-3628674-A1 BICYCLIC NUCLEOCAPSID INHIBITOR AND USE OF SAME AS DRUG IN TREATMENT OF HEPATITIS B Shanghai Longwood Biopharmaceuticals Co., Ltd. (CN) 2020-04-01 EP disclosed