SCHEMBL13745374

SCHEMBL13745374

C=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCCCCC1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.82
▸ FFAR1 O14842 2/20 0.63
▸ MEN1 O00255 8/20 0.58
▸ MAPT P10636 5/20 0.57
▸ PKM P14618 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ HSP90AA1 P07900 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ PSMD14 O00487 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ USP2 O75604 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ GPR55 Q9Y2T6 2/20 0.54
▸ NPC1 O15118 1/20 0.54

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
SCHEMBL12008890 0.90 KMT2A (1.00) KMT2AFFAR1MEN1MAPTPKM
SCHEMBL12008977 0.90 KMT2A (1.00) KMT2AFFAR1MEN1MAPTPKM
SCHEMBL12008872 0.89 KMT2A (0.98) KMT2AFFAR1MEN1MAPTPKM
SCHEMBL18539173 0.85 KMT2A (0.86) KMT2AFFAR1MEN1MAPTPKM
SCHEMBL12008990 0.85 KMT2A (0.86) KMT2AFFAR1MEN1MAPTPKM
SCHEMBL12008887 0.82 KMT2A (0.84) KMT2AFFAR1MEN1MAPTALDH1A1
SCHEMBL12008950 0.82 FFAR1 (0.86) KMT2AFFAR1MEN1MAPTPKM
SCHEMBL18545589 0.81 FFAR1 (0.73) KMT2AFFAR1MEN1MAPTPKM
SCHEMBL12008871 0.80 KMT2A (0.81) KMT2AFFAR1MEN1MAPTPKM
SCHEMBL12008952 0.79 FFAR1 (0.70) KMT2AFFAR1MEN1MAPTPKM

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-2009097113-A2 OXAZOLE AND THIAZOLE COMPOUNDS AS B-CATENIN MODULATORS AND USES THEREOF NEW YORK UNIVERSITY (US) 2009-08-06 — — WO disclosed
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