SCHEMBL8540945

SCHEMBL8540945

CSCCCc1ccccc1-c1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.42
TYRO3 Q06418 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
NISCH Q9Y2I1 2/20 0.41
MTOR P42345 1/20 0.41
ADK P55263 1/20 0.41
ADRA1A P35348 1/20 0.39
MC4R P32245 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
IDO1 P14902 1/20 0.36
CASP6 P55212 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34

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
SCHEMBL8537580 0.91 CSNK1A1 (0.44) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8538742 0.85 CYP1A2 (0.48) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL15809922 0.84 CYP1A2 (0.47) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL31419337 0.84 CYP1A2 (0.47) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8537087 0.83 CSNK1A1 (0.45) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL10414554 0.82 CYP1A2 (0.46) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8614473 0.82 CSNK1A1 (0.48) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8535617 0.80 ADRA1A (0.51) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8539363 0.79 CSNK1A1 (0.42) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL6951802 0.78 CSNK1A1 (0.50) 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