SCHEMBL8538264

SCHEMBL8538264

O=CCCc1ccccc1-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
NISCH Q9Y2I1 2/20 0.42
MTOR P42345 1/20 0.42
ADK P55263 1/20 0.42
IDO1 P14902 1/20 0.40
ADRA1A P35348 1/20 0.39
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CASP6 P55212 1/20 0.36
MC4R P32245 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 2/20 0.34
TLK2 Q86UE8 1/20 0.34
ADRB3 P13945 1/20 0.33

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
SCHEMBL6951802 0.80 CSNK1A1 (0.50) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8537907 0.80 CSNK1A1 (0.46) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL17304239 0.79 CSNK1A1 (0.53) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL1979769 0.78 CSNK1A1 (0.52) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8614473 0.77 CSNK1A1 (0.48) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8537580 0.77 CSNK1A1 (0.44) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8538742 0.77 CYP1A2 (0.48) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8617021 0.77 CSNK1A1 (0.44) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL6757686 0.76 CSNK1A1 (0.43) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL31419337 0.76 CYP1A2 (0.47) 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