SCHEMBL12974154

SCHEMBL12974154

COc1cccc(-c2nnc(-c3cc(-c4cc5ccccc5c5ccccc45)cc(-n4c5ccccc5c5ccccc54)c3)o2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ HPGD P15428 6/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ ALOX5 P09917 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ TP53 P04637 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ PTK2 Q05397 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.40
▸ IMPDH2 P12268 1/20 0.40
▸ IMPDH1 P20839 1/20 0.40

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
SCHEMBL2718884 0.88 KDM4E (0.53) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL15426702 0.85 NPC1 (0.50) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL15074716 0.85 KDM4E (0.52) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2729578 0.85 KDM4E (0.54) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2729335 0.82 NPC1 (0.57) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2729098 0.81 KDM4E (0.50) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL10299040 0.77 SMN1; SMN2 (0.50) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL10299380 0.77 PIM1 (0.45) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL17281773 0.76 L3MBTL1 (0.47) KDM4EALDH1A1HPGDKMT2AALOX5
SCHEMBL10299365 0.76 PTK2 (0.42) KDM4EALDH1A1HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010149622-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2010-12-29 — — WO disclosed
WO-2010149618-A1 POLYMERIC AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2010-12-29 — — WO disclosed
WO-2010149620-A1 POLYMERIZABLE AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2010-12-29 — — WO disclosed
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