SCHEMBL10723536

SCHEMBL10723536

[O-][S+](Cc1ccccc1N1CCCCC1)c1ccccc1-c1ncc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
ADRA1A P35348 3/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ROCK2 O75116 4/20 0.33
ROCK1 Q13464 4/20 0.33
CDC42BPB Q9Y5S2 4/20 0.33
F2RL1 P55085 2/20 0.33
NPBWR1 P48145 1/20 0.33
KMT2A Q03164 1/20 0.33
CDC42BPA Q5VT25 3/20 0.32
PTGS2 P35354 1/20 0.32
MTOR P42345 1/20 0.32
ADK P55263 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
KEAP1 Q14145 1/20 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
SCHEMBL10721669 0.76 CSNK1A1 (0.39) CSNK1A1TYRO3DYRK1BADRA1AHCRTR1
SCHEMBL10723167 0.76 CSNK1A1 (0.39) CSNK1A1TYRO3DYRK1BADRA1AHCRTR1
SCHEMBL9113864 0.73 CSNK1A1 (0.43) CSNK1A1TYRO3DYRK1BADRA1AHRH3
SCHEMBL9395846 0.71 BCHE (0.49) KMT2A
SCHEMBL28000729 0.71 ALDH1A1 (0.46) CSNK1A1TYRO3DYRK1BADRA1AKCNH2
SCHEMBL9695392 0.70 DRD4 (0.44)
SCHEMBL8617533 0.69 CSNK1A1 (0.44) CSNK1A1TYRO3DYRK1BADRA1AHCRTR1
SCHEMBL8537274 0.68 CSNK1A1 (0.46) CSNK1A1TYRO3DYRK1BADRA1AHCRTR1
SCHEMBL10717715 0.64 NPY5R (0.38) DYRK1BNPBWR1KMT2A
SCHEMBL10479892 0.64 CSNK1A1 (0.34) CSNK1A1TYRO3DYRK1BHCRTR1HCRTR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248634-A2 Stabilized benzimidazole derivative and composition NIPPON CHEMIPHAR CO., LTD. (JP) 1987-12-09 EP disclosed