SCHEMBL8537907

SCHEMBL8537907

BrCCc1ccccc1-c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.46
TYRO3 Q06418 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
NISCH Q9Y2I1 2/20 0.46
MTOR P42345 1/20 0.46
ADK P55263 1/20 0.46
ADRA1A P35348 1/20 0.42
MC4R P32245 2/20 0.39
IDO1 P14902 1/20 0.39
CASP6 P55212 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRA2A P08913 2/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
HTR1A P08908 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL8541248 0.86 CSNK1A1 (0.49) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL6951802 0.83 CSNK1A1 (0.50) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8537574 0.81 CSNK1A1 (0.47) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8614473 0.81 CSNK1A1 (0.48) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8537580 0.81 CSNK1A1 (0.44) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8538742 0.81 CYP1A2 (0.48) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8538264 0.80 CSNK1A1 (0.47) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL6757686 0.80 CSNK1A1 (0.43) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL15809922 0.80 CYP1A2 (0.47) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL9442560 0.80 CSNK1A1 (0.43) 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