SCHEMBL13045270

SCHEMBL13045270

c1cc2cccc3c4ccc(-c5cnc6ncc(-c7ccc8c9cccc%10cccc(c%11cccc7c%118)c%109)cc6c5)c5cccc(c(c1)c23)c54

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ RXRA P19793 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33

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
SCHEMBL13045268 0.89 CYP1A2 (0.41) PDGFRBPDGFRACYP1A2ERBB2FYN
SCHEMBL28716562 0.80 KDM4E (0.42) PDGFRBPDGFRACYP1A2ERBB2FYN
SCHEMBL29253516 0.78 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL12269099 0.77 ALOX5AP (0.40) KDM4EL3MBTL1TSHRHIF1ANUDT1
SCHEMBL12268953 0.77 ALOX5AP (0.40) ACHEALDH1A1HPGDHSD17B10KDM4E
SCHEMBL14184273 0.73 CYP1A2 (0.42) PDGFRBPDGFRACYP1A2ERBB2FYN
SCHEMBL634392 0.73 ALDH1A1 (0.48) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL15497834 0.73 PDGFRB (0.51) PDGFRBPDGFRACYP1A2ERBB2FYN
SCHEMBL13045266 0.73 CYP11B1 (0.54) PDGFRBPDGFRAERBB2CA12CA9
SCHEMBL31377006 0.73 TNF (0.43) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833634-B2 1,8-naphthyridine compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2010-11-16 — — US disclosed
US-7833634-B2 1,8-naphthyridine compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2010-11-16 — — US disclosed
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