SCHEMBL16604642

SCHEMBL16604642

Cn1c(-c2ccccc2)nc2cc(-c3cccc(-c4ccc5c6c4ccc4cccc(c46)n5-c4ccccc4)c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ PKM P14618 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL16604623 0.96 HDAC1 (0.43) PDE10AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL16604639 0.92 PDE10A (0.37) PDE10AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL16604643 0.92 PDE10A (0.47) PDE10AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL16604620 0.87 ESR1 (0.42) PDE10AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL16604622 0.87 ESR1 (0.42) PDE10AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL9976945 0.86 PDE10A (0.47) PDE10AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL16604603 0.85 PDE10A (0.46) PDE10AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL16604618 0.85 ESR1 (0.48) HDAC1HDAC8HDAC6ALDH1A1KDM4E
SCHEMBL9976951 0.84 HDAC1 (0.48) PDE10AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL16604640 0.84 ESR1 (0.42) HDAC1HDAC8HDAC6ALDH1A1HSD17B10

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-9461261-B2 Organic compounds and organic light-emitting devices including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-04 — — US disclosed
US-9461261-B2 Organic compounds and organic light-emitting devices including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-04 — — US disclosed
US-20150090963-A1 ORGANIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-02 — — US disclosed
US-20150090963-A1 ORGANIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-02 — — US disclosed
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