SCHEMBL11375422

SCHEMBL11375422

N#Cc1cc2oc3ccc(Cl)cc3c(=O)c2nc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.46
▸ CA1 P00915 4/20 0.44
▸ CA2 P00918 4/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA3 P07451 2/20 0.44
▸ CA4 P22748 2/20 0.44
▸ CA6 P23280 2/20 0.44
▸ CA5A P35218 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA13 Q8N1Q1 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ CA5B Q9Y2D0 2/20 0.44
▸ TTR P02766 2/20 0.42
▸ PSMB8 P28062 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ THRB P10828 1/20 0.38

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
SCHEMBL11367261 0.85 NT5E (0.45) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6207230 0.82 NPC1 (0.51) GPR35CA1CA2CA12CA3
SCHEMBL11354192 0.82 TBK1 (0.37) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL11375110 0.82 TBK1 (0.48) CA12CA9MAPTNPC1RAB9A
SCHEMBL11107442 0.82 TBK1 (0.51) GPR35TTRMAPTNPC1RAB9A
SCHEMBL2907889 0.78 TTR (0.54) GPR35CA1CA2TTRCYP1A2
SCHEMBL11365313 0.78 KDM4E (0.49) CA1CA2CA12CA3CA4
SCHEMBL11379997 0.77 TTR (0.44) GPR35CA1CA2CA12CA3
SCHEMBL7028933 0.77 TBK1 (0.39) LMNAKMT2ASMN1; SMN2KCNH2KDM4E
SCHEMBL2907061 0.77 TTR (0.53) GPR35CA1CA2TTRCYP1A2

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
US-4255576-A 1-Azaxanthone derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-03-10 — — US claimed
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