SCHEMBL15073607

SCHEMBL15073607

c1ccc(-c2cccc(-n3c4ccccc4c4c5ccc6c(c5ccc43)c3ccccc3n6-c3ccc(-c4cccnc4)cn3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 1/20 0.39
▸ DHODH Q02127 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP2A6 P11509 4/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ CYP11B2 P19099 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ TEK Q02763 1/20 0.33
▸ CYP11B1 P15538 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
SCHEMBL15073790 0.86 MAPT (0.40) G6PDMAPTKDM4EALDH1A1RAB9A
SCHEMBL15073670 0.86 G6PD (0.40) G6PDMAPTKDM4EALDH1A1RAB9A
SCHEMBL15073622 0.84 RAB9A (0.43) MAPTKDM4EALDH1A1RAB9A
SCHEMBL15835502 0.83 CYP11B2 (0.43) G6PDMAPTKDM4EALDH1A1RAB9A
SCHEMBL15073665 0.80 L3MBTL1 (0.44) MAPTKDM4EALDH1A1RAB9AKDR
SCHEMBL15802225 0.80 G6PD (0.36) G6PDMAPTALDH1A1CYP2A6CYP11B2
SCHEMBL15073954 0.80 CYP19A1 (0.41) G6PDDHODHMAPTALDH1A1CYP2A6
SCHEMBL15073879 0.79 CYP19A1 (0.40) DHODHMAPTALDH1A1RAB9ACYP2A6
SCHEMBL16357383 0.79 MAPT (0.38) G6PDMAPTALDH1A1RAB9ACYP2A6
SCHEMBL15073605 0.79 CYP11B1 (0.35) MAPTKDM4EALDH1A1RAB9APDE10A

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-2013094999-A2 ORGANIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-06-27 — — WO disclosed
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