SCHEMBL15024936

SCHEMBL15024936

CCCCn1c2cc(C#Cc3ccccc3)ccc2c2c3ccc(C#Cc4ccccc4)cc3n(CCCC)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 4/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ PGR P06401 3/20 0.38
▸ RORA P35398 3/20 0.38
▸ RORC P51449 3/20 0.38
▸ RORB Q92753 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GRM4 Q14833 1/20 0.37
▸ PSEN1 P49768 5/20 0.37
▸ PSEN2 P49810 5/20 0.37
▸ APH1B Q8WW43 5/20 0.37
▸ NCSTN Q92542 5/20 0.37
▸ APH1A Q96BI3 5/20 0.37
▸ PSENEN Q9NZ42 5/20 0.37
▸ NPC1 O15118 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
SCHEMBL15128336 0.85 GRM5 (0.39) GRM5L3MBTL1MEN1KMT2ATLR9
SCHEMBL15025132 0.80 L3MBTL1 (0.34) GRM5L3MBTL1TDP1MEN1KMT2A
SCHEMBL15024939 0.79 TP53 (0.33) GRM5L3MBTL1TDP1MEN1KMT2A
SCHEMBL16675406 0.76 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17699284 0.76 L3MBTL1 (0.58) L3MBTL1PGRRORARORCRORB
SCHEMBL15024908 0.75 ALDH1A1 (0.35) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL15025131 0.75 NQO2 (0.34) L3MBTL1TDP1MEN1KMT2ATLR9
SCHEMBL12379839 0.74 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20402178 0.72 PSEN1 (0.40) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL15024944 0.72 TSHR (0.41) L3MBTL1TDP1MEN1KMT2APGR

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
EP-2617724-B1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL & SUMIKIN CHEM CO (JP) 2017-07-05 — — EP disclosed
US-8766248-B2 Nitrogen-containing aromatic compound, organic semiconductor material, and organic electronic device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-07-01 — — US disclosed
US-8766248-B2 Nitrogen-containing aromatic compound, organic semiconductor material, and organic electronic device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-07-01 — — US disclosed
US-20130150576-A1 NITROGEN-CONTAINING AROMATIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONIC DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2013-06-13 — — US disclosed
US-20130150576-A1 NITROGEN-CONTAINING AROMATIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONIC DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2013-06-13 — — US disclosed
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