SCHEMBL8540973

SCHEMBL8540973

CSCOc1ccccc1-c1ncc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.54
CSNK1A1 P48729 1/20 0.43
TYRO3 Q06418 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
NISCH Q9Y2I1 2/20 0.42
MTOR P42345 1/20 0.42
ADK P55263 1/20 0.42
ALPL P05186 1/20 0.38
PDE5A O76074 5/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
MC4R P32245 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
IDO1 P14902 1/20 0.37
PDE4A P27815 3/20 0.36

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
SCHEMBL8538755 0.85 ADRA1A (0.52) ADRA1ACSNK1A1TYRO3DYRK1BNISCH
SCHEMBL8535617 0.84 ADRA1A (0.51) ADRA1ACSNK1A1TYRO3DYRK1BNISCH
SCHEMBL3403159 0.83 ADRA1A (0.58) ADRA1ACSNK1A1TYRO3DYRK1BNISCH
SCHEMBL29360270 0.79 ADRA1A (0.54) ADRA1ACSNK1A1TYRO3DYRK1BNISCH
SCHEMBL3403152 0.79 ADRA1A (0.54) ADRA1ACSNK1A1TYRO3DYRK1BNISCH
SCHEMBL8541523 0.79 ADRA1A (0.54) ADRA1ACSNK1A1TYRO3DYRK1BNISCH
SCHEMBL8542558 0.77 ADRA1A (0.52) ADRA1ACSNK1A1TYRO3DYRK1BNISCH
SCHEMBL8536434 0.76 ADRA1A (0.54) ADRA1ACSNK1A1TYRO3DYRK1BNISCH
SCHEMBL8541279 0.76 ADRA1A (0.54) ADRA1ACSNK1A1TYRO3DYRK1BNISCH
SCHEMBL8540508 0.75 ADRA1A (0.51) ADRA1ACSNK1A1TYRO3DYRK1BNISCH

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-0857171-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015555-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed