SCHEMBL20172125

SCHEMBL20172125

Sc1ccc2c(c1)oc1cccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PSMD14 O00487 3/20 0.35
▸ COPS5 Q92905 3/20 0.35
▸ HSP90AA1 P07900 4/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ AHR P35869 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CCR1 P32246 3/20 0.32
▸ CCR8 P51685 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ HTT P42858 2/20 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
SCHEMBL20172350 0.86 NPC1 (0.40) MEN1KMT2APSMD14COPS5HSP90AA1
SCHEMBL17705011 0.79 HTT (0.41) MEN1KMT2AHSP90AA1PDE4DKDM4E
SCHEMBL17490113 0.79 ALDH1A1 (0.56) MEN1KMT2AHSP90AA1HSP90AB1KDM4E
SCHEMBL15631664 0.79 AHR (0.58) MEN1KMT2AHSP90AA1PDE4DKDM4E
SCHEMBL16919861 0.79 ALDH1A1 (0.42) MEN1KMT2APSMD14COPS5HSP90AA1
SCHEMBL29625837 0.77 KMT2A (0.58) MEN1KMT2AHSP90AA1KDM4EMAPT
SCHEMBL27174137 0.77 KMT2A (0.58) MEN1KMT2AHSP90AA1KDM4EMAPT
SCHEMBL148991 0.77 KMT2A (0.58) MEN1KMT2AHSP90AA1KDM4EMAPT
SCHEMBL15695188 0.77 MEN1 (0.39) MEN1KMT2AL3MBTL1NPC1AHR
Triphenylene SCHEMBL29177920 0.76 KMT2A (0.56) MEN1KMT2AHSP90AA1PDE4DKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339395-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-02 — — EP disclosed
EP-3339395-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2018-06-27 — — EP disclosed
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 — — EP disclosed
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