SCHEMBL20816068

SCHEMBL20816068

C#CCN1C(=O)S/C(=C/c2ccc(CC)cc2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 5/20 1.00
▸ MAX P61244 4/20 1.00
▸ AMY1A P0DUB6 1/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MAOA P21397 6/20 0.51
▸ MAOB P27338 6/20 0.51

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
SCHEMBL20816069 1.00 MYC (1.00) MYCMAXAMY1AMEN1NPC1
SCHEMBL25645369 0.81 MYC (0.68) MYCMAXMEN1NPC1RAB9A
SCHEMBL17927320 0.80 MAPK1 (0.71) MYCMAXKMT2AMAPK1MAOA
SCHEMBL17927322 0.80 MAPK1 (0.71) MYCMAXKMT2AMAPK1MAOA
SCHEMBL17934519 0.77 MYC (0.63) MYCMAXMEN1NPC1RAB9A
SCHEMBL17927318 0.75 MYC (0.60) MYCMAXMEN1ALDH1A1KMT2A
SCHEMBL17927286 0.75 MYC (0.60) MYCMAXNPC1MAPK1MAOA
SCHEMBL17927319 0.75 MYC (0.60) MYCMAXMEN1ALDH1A1KMT2A
SCHEMBL31376923 0.75 MYC (0.68) MYCMAXMEN1NPC1ALDH1A1
SCHEMBL31376941 0.75 AKR1B1 (0.76) MYCMAXKDRPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190085404-A1 METHODS OF IDENTIFYING AND TREATING IMMUNE CHECKPOINT INHIBITOR-RESPONSIVE NEOPLASMS AND CELLS, TRANSGENIC ANIMALS AND KITS FOR USE THEREIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2019-03-21 — — US disclosed
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