SCHEMBL7686744

SCHEMBL7686744

ClCCCI.ClCCCn1ncc2ccc(-c3ccsc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 1/20 0.40
▸ KMO O15229 4/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ EEF2K O00418 1/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ RPS6KA5 O75582 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CAMK2B Q13554 1/20 0.37
▸ CAMK2G Q13555 1/20 0.37
▸ CAMK2D Q13557 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ PKN2 Q16513 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ MINK1 Q8N4C8 1/20 0.37

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
SCHEMBL7256527 0.94 HTR1D (0.43) HTR1DKMOCNR1EEF2KDYRK3
SCHEMBL7256498 0.80 EEF2K (0.46) HTR1DKMOEEF2KDYRK3JAK2
SCHEMBL7258088 0.80 HTR1D (0.57) HTR1DKMOMAP4K4HTR7BRD4
SCHEMBL7253556 0.78 HTR1D (0.46) HTR1DKMOEEF2KDYRK3JAK2
SCHEMBL7253008 0.77 HTR1D (0.62) HTR1DKMOEEF2KDYRK3JAK2
SCHEMBL7253520 0.77 HTR1D (0.44) HTR1DKMOEEF2KDYRK3JAK2
SCHEMBL7253656 0.76 HTR7 (0.57) HTR1DHTR7GRIN2B
SCHEMBL7253427 0.76 HTR7 (0.55) HTR1DHTR7
SCHEMBL7253398 0.75 HTR1D (0.48) HTR1DKMOEEF2KDYRK3JAK2
SCHEMBL7252935 0.75 HTR7 (0.54) HTR1DHTR7

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
US-6380242-B1 FOR DIAGNOSIS AND THERAPY OF CENTRAL NERVOUS SYSTEM CONDITIONS NPS ALLELIX CORP. (CA) 2002-04-30 — — US disclosed
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