SCHEMBL16604623

SCHEMBL16604623

Cn1c(-c2ccccc2)nc2cc(-c3ccc(-c4ccc5c6c4ccc4cccc(c46)n5-c4ccccc4)cc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ PDE10A Q9Y233 2/20 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
SCHEMBL16604642 0.96 PDE10A (0.41) HDAC1HDAC8HDAC6PDE10AALDH1A1
SCHEMBL16604620 0.91 ESR1 (0.42) HDAC1HDAC8HDAC6PDE10AALDH1A1
SCHEMBL16604622 0.91 ESR1 (0.42) HDAC1HDAC8HDAC6PDE10AALDH1A1
SCHEMBL16604639 0.90 PDE10A (0.37) HDAC1HDAC8HDAC6PDE10AALDH1A1
SCHEMBL16604643 0.90 PDE10A (0.47) HDAC1HDAC8HDAC6PDE10AALDH1A1
SCHEMBL9976951 0.88 HDAC1 (0.48) HDAC1HDAC8HDAC6PDE10AALDH1A1
SCHEMBL16604603 0.88 PDE10A (0.46) HDAC1HDAC8HDAC6PDE10AALDH1A1
SCHEMBL16604641 0.86 MDM2 (0.42) MAPTGFERMEN1KMT2APTGER4
SCHEMBL16604652 0.85 DHFR (0.41) PDE10AATMMAPTMEN1KMT2A
SCHEMBL9976945 0.84 PDE10A (0.47) HDAC1HDAC8HDAC6PDE10AALDH1A1

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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