SCHEMBL31017443

SCHEMBL31017443

OP(O)(=S)Cc1ccc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 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
SCHEMBL1680344 0.69 — —
SCHEMBL15801172 0.69 — —
SCHEMBL7003873 0.69 GPR84 (0.41) DAOMAOADRD2DRD4DRD3
SCHEMBL15801169 0.69 — —
SCHEMBL445229 0.69 — —
SCHEMBL7172295 0.68 MAOA (0.42) DAOHDAC8HDAC6MAOADRD2
SCHEMBL79201 0.68 MAOA (0.47) DAOHDAC8HDAC6MAOADRD2
SCHEMBL8955030 0.67 GPR84 (0.44) MAOADRD2DRD4DRD3
SCHEMBL10711384 0.67 MEN1 (0.38) DAO
SCHEMBL163556 0.66 — —

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-118355020-A Therapeutic compounds for HIV virus infection 吉利德科学公司 2024-07-16 — — CN disclosed
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