SCHEMBL17146233

SCHEMBL17146233

Cc1cc2ccc(C=N)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.40
▸ CYP2A6 P11509 2/20 0.40
▸ GPR183 P32249 1/20 0.40
▸ AXL P30530 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ DDO Q99489 1/20 0.33
▸ MAOB P27338 1/20 0.32
▸ MAPT P10636 5/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GAA P10253 3/20 0.32
▸ RXFP1 Q9HBX9 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL18000092 0.81 CYP2A6 (0.40) KEAP1CYP2A6GPR183AXLDAO
SCHEMBL4073976 0.81 CYP2A6 (0.52) KEAP1CYP2A6GPR183AXLDAO
SCHEMBL30460284 0.81 CYP2A6 (0.52) KEAP1CYP2A6GPR183AXLDAO
SCHEMBL28569699 0.77 RELA (0.52) GPR183NFE2L2HPGDMAOBMAPT
SCHEMBL30697897 0.74 LMNA (0.52) KEAP1CYP2A6GPR183AXLLMNA
SCHEMBL475358 0.74 LMNA (0.52) KEAP1CYP2A6GPR183AXLLMNA
SCHEMBL23245359 0.73 GPR183 (0.38) KEAP1CYP2A6GPR183AXLLMNA
SCHEMBL8545404 0.73 KDM4E (0.51) GPR183LMNAHPGDMAOBMAPT
SCHEMBL23245362 0.73 GPR183 (0.38) KEAP1CYP2A6GPR183AXLLMNA
SCHEMBL8545402 0.73 KDM4E (0.51) GPR183LMNAHPGDMAOBMAPT

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-2927224-A1 Receptor antagonists Proximagen Limited (GB) 2015-10-07 — — EP disclosed
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