SCHEMBL16604652

SCHEMBL16604652

Cn1c(-c2ccc(-c3ccc4c5c3ccc3cccc(c35)n4-c3ccc4ccccc4c3)cc2)nc2cc(-c3cccnc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.41
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KIT P10721 3/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ GRM1 Q13255 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34

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 0.85 HDAC1 (0.43) ATMMAPTMEN1KMT2APTGER4
SCHEMBL16604642 0.83 PDE10A (0.41) NAMPTATMMAPTMEN1KMT2A
SCHEMBL16604641 0.82 MDM2 (0.42) DHFRNAMPTMAPTMEN1KMT2A
SCHEMBL16604589 0.79 MDM2 (0.45) DHFRMAPTMEN1KMT2A
SCHEMBL16604587 0.78 ESR1 (0.48) MAPTMEN1KMT2AMAPK10
SCHEMBL16604639 0.78 PDE10A (0.37) NAMPTATMMAPTMEN1KMT2A
SCHEMBL9976951 0.77 HDAC1 (0.48) NAMPTATMMAPTMEN1KMT2A
SCHEMBL12912551 0.77 PDE10A (0.43) ATMMAPTMEN1KMT2APTGER4
SCHEMBL16604643 0.76 PDE10A (0.47) NAMPTATMMAPTMEN1KMT2A
SCHEMBL16604620 0.76 ESR1 (0.42) MAPTMEN1KMT2APTGER4PDE10A

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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