SCHEMBL17705437

SCHEMBL17705437

CC1(C)c2ccccc2-c2c1c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL1R1 P14778 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ RXRA P19793 1/20 0.35
▸ ATM Q13315 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPK1 P28482 3/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ PTK2B Q14289 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL17705438 0.93 KMT2A (0.38) IL1R1ALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL20998112 0.91 PDE10A (0.35) IL1R1ALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL18854855 0.90 L3MBTL1 (0.35) ALDH1A1L3MBTL1KMT2AMAPTMEN1
SCHEMBL15894370 0.89 IL1R1 (0.38) IL1R1ALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL15894388 0.88 RXRA (0.34) IL1R1ALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL17689978 0.88 IL1R1 (0.37) IL1R1ALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL17667116 0.87 L3MBTL1 (0.46) IL1R1ALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL15860862 0.87 L3MBTL1 (0.35) IL1R1ALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL17705439 0.86 DHODH (0.36) IL1R1ALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL15860642 0.86 L3MBTL1 (0.34) IL1R1ALDH1A1L3MBTL1KMT2AMAPT

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-9818950-B2 Organic light-emitting devices SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-14 — — US disclosed
US-9818950-B2 Organic light-emitting devices SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-14 — — US disclosed
US-20160118590-A1 ORGANIC LIGHT-EMITTING DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-28 — — US disclosed
US-20160118590-A1 ORGANIC LIGHT-EMITTING DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-28 — — US disclosed
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