SCHEMBL5992046

SCHEMBL5992046

COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 16/20 1.00
▸ KMT2A Q03164 16/20 1.00
▸ MAPT P10636 5/20 1.00
▸ RAB9A P51151 3/20 1.00
▸ NPC1 O15118 3/20 1.00
▸ MITF O75030 2/20 1.00
▸ PSMD14 O00487 1/20 0.82
▸ POLB P06746 4/20 0.73
▸ MAPK1 P28482 4/20 0.70
▸ ALDH1A1 P00352 2/20 0.70
▸ L3MBTL1 Q9Y468 2/20 0.70
▸ LMNA P02545 2/20 0.70
▸ XBP1 P17861 1/20 0.70
▸ KDM4E B2RXH2 2/20 0.69
▸ ALPL P05186 2/20 0.69
▸ HPGD P15428 1/20 0.69
▸ RECQL P46063 1/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ SAE1 Q9UBE0 1/20 0.67
▸ UBA2 Q9UBT2 1/20 0.67

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
SCHEMBL12008419 0.84 KMT2A (1.00) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL12008788 0.80 MAPT (0.87) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL13345901 0.79 KMT2A (0.85) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL11918202 0.79 KMT2A (1.00) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL13888265 0.77 KMT2A (0.85) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL12008760 0.77 KMT2A (0.90) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL12008757 0.76 KMT2A (0.90) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL12008578 0.76 KMT2A (0.84) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL12008758 0.76 MAPT (1.00) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL5287842 0.76 MAPT (0.65) MEN1KMT2AMAPTRAB9ANPC1

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
WO-2012065139-A2 ENTPD5 INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-05-18 — — WO disclosed
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