SCHEMBL29201835

SCHEMBL29201835

CNC(OP(=O)(O)O)c1cn(S(=O)(=O)c2cccc(F)c2)c(-c2ccc(F)cc2F)c1OC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 13/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ GRM5 P41594 1/20 0.31

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
SCHEMBL20679762 0.85 HTR6 (0.35) HTR6KMT2AMEN1GFERDRD2
SCHEMBL20679764 0.85 HTR6 (0.35) HTR6KMT2AMEN1GFERDRD2
SCHEMBL20679767 0.85 HTR6 (0.35) HTR6KMT2AMEN1GFERDRD2
Hydrochloric Acid SCHEMBL28587267 0.84 HTR6 (0.39) HTR6KMT2AMEN1GFERDRD2
Succinic Acid SCHEMBL28596355 0.80 HTR6 (0.38) HTR6KMT2AMEN1GFERDRD2
Cadaverine Tartrate SCHEMBL28592976 0.80 HTR6 (0.36) HTR6KMT2AMEN1GFERDRD2
Abeprazan SCHEMBL29201774 0.80 HTR6 (0.37) HTR6KMT2AMEN1GFERDRD2
Phosphoric Acid SCHEMBL30839224 0.78 KMT2A (0.37) HTR6KMT2AMEN1GFERDRD2
SCHEMBL30963571 0.77 MEN1 (0.42) HTR6KMT2AMEN1GFERDRD2
SCHEMBL19385605 0.77 MEN1 (0.42) HTR6KMT2AMEN1GFERDRD2

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-117756695-A Novel crystalline forms of highly water-soluble salts of novel 4-methoxypyrrole derivatives 罗欣药业(上海)有限公司 2024-03-26 — — CN disclosed
Send feedback