SCHEMBL12204547

SCHEMBL12204547

c1ccc2c(c1)nnn2Cc1ccc(Cn2nnc3ccccc32)nc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 9/20 0.64
▸ SLC9A1 P19634 3/20 0.64
▸ TDP1 Q9NUW8 1/20 0.63
▸ CYP2C9 P11712 1/20 0.56
▸ PTK2 Q05397 2/20 0.52
▸ KCNMA1 Q12791 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL16892016 0.80 GRM2 (0.71) GRM2SLC9A1TDP1CYP2C9PTK2
SCHEMBL2734889 0.79 GRM2 (1.00) GRM2SLC9A1TDP1PTK2KCNMA1
SCHEMBL22000732 0.76 GRM2 (0.75) GRM2SLC9A1TDP1PTK2KCNMA1
SCHEMBL16398499 0.76 GRM2 (0.75) GRM2SLC9A1TDP1KCNMA1KDM4E
SCHEMBL7597659 0.76 GRM2 (0.75) GRM2SLC9A1TDP1CYP2C9PTK2
SCHEMBL28345673 0.76 GRM2 (0.75) GRM2SLC9A1TDP1PTK2KCNMA1
SCHEMBL9305191 0.74 GAA (0.66) GRM2SLC9A1TDP1PTK2KCNMA1
SCHEMBL30368818 0.74 GAA (0.66) GRM2SLC9A1TDP1PTK2KCNMA1
SCHEMBL1312086 0.73 SLC9A1 (0.55) GRM2SLC9A1TDP1PTK2KCNMA1
SCHEMBL9303448 0.73 PTK2 (0.72) GRM2SLC9A1TDP1PTK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034420-B2 Benzotriazole compound-containing composition and light-emitting device using the composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-11 — — US disclosed
US-8034420-B2 Benzotriazole compound-containing composition and light-emitting device using the composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-11 — — US disclosed
US-20100073603-A1 BENZOTRIAZOLE COMPOUND-CONTAINING COMPOSITION AND LIGHT-EMITTING DEVICE USING THE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-25 — — US disclosed
US-20100073603-A1 BENZOTRIAZOLE COMPOUND-CONTAINING COMPOSITION AND LIGHT-EMITTING DEVICE USING THE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-25 — — US disclosed
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