SCHEMBL8540682

SCHEMBL8540682

CS(=O)(=O)Cc1ccccc1-c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.47
TYRO3 Q06418 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
ADRA1A P35348 2/20 0.46
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
IDO1 P14902 1/20 0.43
NISCH Q9Y2I1 2/20 0.42
MTOR P42345 1/20 0.42
ADK P55263 1/20 0.42
CASP6 P55212 1/20 0.38
HTR1A P08908 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
EDNRA P25101 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
MC4R P32245 2/20 0.35
ALDH1A1 P00352 2/20 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
SCHEMBL8613204 0.87 CSNK1A1 (0.46) CSNK1A1TYRO3DYRK1BADRA1AALOX5AP
SCHEMBL8617021 0.85 CSNK1A1 (0.44) CSNK1A1TYRO3DYRK1BADRA1AIDO1
SCHEMBL8540658 0.84 JAK2 (0.48) CSNK1A1TYRO3DYRK1BADRA1AALOX5AP
SCHEMBL17304239 0.82 CSNK1A1 (0.53) CSNK1A1TYRO3DYRK1BADRA1AIDO1
SCHEMBL8539349 0.78 HCRTR1 (0.40) CSNK1A1TYRO3DYRK1BADRA1ANISCH
SCHEMBL7186901 0.76 CSNK1A1 (0.50) CSNK1A1TYRO3DYRK1BADRA1AALOX5AP
SCHEMBL8537355 0.76 CSNK1A1 (0.43) CSNK1A1TYRO3DYRK1BADRA1AALOX5AP
SCHEMBL5855095 0.76 CSNK1A1 (0.53) CSNK1A1TYRO3DYRK1BADRA1AIDO1
SCHEMBL4351978 0.76 CSNK1A1 (0.49) CSNK1A1TYRO3DYRK1BADRA1AIDO1
SCHEMBL9665277 0.76 CSNK1A1 (0.53) CSNK1A1TYRO3DYRK1BADRA1AIDO1

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