SCHEMBL6657269

SCHEMBL6657269

CCc1nc2c(O)c(O)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 1/20 0.44
▸ ADORA3 P0DMS8 3/20 0.41
▸ ADORA1 P30542 3/20 0.41
▸ ADORA2A P29274 2/20 0.41
▸ ADRB2 P07550 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ GRIN2B Q13224 4/20 0.37
▸ MGAM O43451 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ GRIN1 Q05586 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
SCHEMBL6653125 0.83 GPR84 (0.41) —
SCHEMBL10072578 0.79 GRIN1 (0.54) DDAH1ADORA3ADORA1ADORA2AGAA
SCHEMBL6657865 0.76 ADRB2 (0.58) ADORA3ADORA2AADRB2GAAHTT
SCHEMBL2272046 0.74 ADORA3 (0.53) ADORA3ADORA1ADORA2A
SCHEMBL9847093 0.73 CBFB (0.46) DDAH1ADORA3ADORA1ADORA2AGAA
SCHEMBL10299147 0.71 DDAH1 (0.44) DDAH1ADORA3ADORA1ADORA2AGAA
SCHEMBL6657273 0.71 DDAH1 (0.44) DDAH1ADORA3ADORA1ADORA2AGAA
SCHEMBL23092268 0.70 RAB9A (0.60) DDAH1ADORA3ADORA1ADORA2AGAA
SCHEMBL18966965 0.70 DDAH1 (0.43) DDAH1ADORA3ADORA1ADORA2AGAA
SCHEMBL30893646 0.70 RAB9A (0.60) DDAH1ADORA3ADORA1ADORA2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 — — EP claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 — — EP disclosed
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