SCHEMBL5111022

SCHEMBL5111022

COc1cc(Cc2cc(-c3ccncc3)n[nH]2)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.49
FGFR2 P21802 3/20 0.49
FGFR3 P22607 3/20 0.49
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
DYRK1A Q13627 1/20 0.46
COMT P21964 1/20 0.46
MAPT P10636 5/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
MAPK1 P28482 1/20 0.43
ROCK1 Q13464 3/20 0.41
LMNA P02545 3/20 0.39
ALDH1A1 P00352 1/20 0.39
ALPL P05186 2/20 0.39
CA9 Q16790 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP1A1 P04798 1/20 0.39

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
SCHEMBL5096786 0.89 COMT (0.58) CYP11B1CYP11B2GSK3AGSK3BDYRK1A
SCHEMBL5150253 0.82 LTA4H (0.47) CYP11B1CYP11B2GSK3AGSK3BCOMT
SCHEMBL5156205 0.81 KDM4E (0.49) CYP11B1CYP11B2COMTMAPTRAB9A
SCHEMBL5104043 0.79 GSK3A (0.46) GSK3AGSK3BDYRK1ACOMTMAPT
SCHEMBL5139444 0.79 CYP11B1 (0.46) CYP11B1CYP11B2GSK3AGSK3BDYRK1A
SCHEMBL5110822 0.79 GSK3A (0.46) CYP11B1CYP11B2GSK3AGSK3BDYRK1A
SCHEMBL5100672 0.78 ALPL (0.49) CYP11B1CYP11B2GSK3AGSK3BDYRK1A
SCHEMBL14311768 0.78 CYP11B1 (0.57) CYP11B1CYP11B2COMTMAPTNPC1
SCHEMBL5103933 0.78 CYP11B1 (0.47) CYP11B1CYP11B2COMTRAB9AROCK1
SCHEMBL5109650 0.78 MAPK1 (0.48) CYP11B1CYP11B2COMTMAPTNPC1

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
WO-2008004100-A2 THERAPEUTIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO disclosed