SCHEMBL8535623

SCHEMBL8535623

C#CCSCc1ccccc1-c1ncc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.40
TYRO3 Q06418 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
NISCH Q9Y2I1 2/20 0.39
MTOR P42345 1/20 0.39
ADK P55263 1/20 0.39
ADRA1A P35348 1/20 0.37
IDO1 P14902 1/20 0.35
CASP6 P55212 1/20 0.34
MC4R P32245 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA2A P08913 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
F2 P00734 1/20 0.31
MAPT P10636 2/20 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
SCHEMBL8537574 0.87 CSNK1A1 (0.47) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8537355 0.81 CSNK1A1 (0.43) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8612686 0.80 MTOR (0.45) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8537087 0.78 CSNK1A1 (0.45) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8613633 0.78 CYP2D6 (0.45) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8536169 0.76 ALDH1A1 (0.52) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8540419 0.76 CSNK1A1 (0.42) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8541081 0.74 ALOX5AP (0.44) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL29214244 0.73 CSNK1A1 (0.46) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8537907 0.73 CSNK1A1 (0.46) CSNK1A1TYRO3DYRK1BNISCHMTOR

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