SCHEMBL10039121

SCHEMBL10039121

O=C(c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.59
▸ EGFR P00533 1/20 0.59
▸ DHODH Q02127 2/20 0.57
▸ MAPT P10636 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ATM Q13315 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CDC25B P30305 1/20 0.50
▸ MKNK1 Q9BUB5 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ NPC1 O15118 1/20 0.48

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
SCHEMBL131991 1.00 KMO (0.59) KMOEGFRDHODHMAPTRAB9A
SCHEMBL131998 0.98 KMO (0.61) KMOEGFRDHODHMAPTRAB9A
SCHEMBL12551713 0.98 KMO (0.61) KMOEGFRDHODHMAPTRAB9A
SCHEMBL15081115 0.98 KMO (0.61) KMOEGFRDHODHMAPTRAB9A
SCHEMBL131986 0.98 KMO (0.61) KMOEGFRDHODHMAPTRAB9A
SCHEMBL12551714 0.96 KMO (0.67) KMOEGFRDHODHMAPTRAB9A
SCHEMBL21397887 0.96 KMO (0.67) KMOEGFRDHODHMAPTRAB9A
SCHEMBL12551723 0.93 KMO (0.69) KMOEGFRDHODHMAPTRAB9A
SCHEMBL12551710 0.93 KMO (0.69) KMOEGFRDHODHMAPTRAB9A
SCHEMBL12551712 0.93 KMO (0.69) KMOEGFRDHODHMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9236578-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-01-12 — — US disclosed
US-9236578-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-01-12 — — US disclosed
US-20130168663-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-07-04 — — US disclosed
US-20130168663-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-07-04 — — US disclosed
WO-2012013271-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2012-02-02 — — WO disclosed
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