SCHEMBL13075332

SCHEMBL13075332

CNc1cc2oc(=O)n(C)c2cc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 9/20 0.47
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ POLB P06746 2/20 0.43
▸ LRRK2 Q5S007 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ GFER P55789 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ LMNA P02545 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
SCHEMBL18306663 0.82 PKM (0.48) PKMKMT2AMEN1POLBALDH1A1
SCHEMBL1027492 0.76 ATAD2 (0.55) PKMKMT2AMEN1POLBALDH1A1
SCHEMBL24982338 0.76 PKM (0.50) PKMKMT2AMEN1POLBALDH1A1
SCHEMBL16361867 0.76 ALDH1A1 (0.41) PKMKMT2AMEN1POLBALDH1A1
SCHEMBL16154946 0.75 PKM (0.47) PKMKMT2AMEN1POLBALDH1A1
SCHEMBL30881275 0.72 ALDH1A1 (0.41) PKMKMT2AMEN1POLBALDH1A1
SCHEMBL1029530 0.72 ATAD2 (0.55) PKMKMT2AMEN1POLBALDH1A1
SCHEMBL25105480 0.72 ALDH1A1 (0.44) PKMKMT2AMEN1POLBALDH1A1
SCHEMBL16362387 0.72 ALDH1A1 (0.41) PKMKMT2AMEN1POLBALDH1A1
SCHEMBL7504142 0.72 MAPT (0.47) PKMKMT2AMEN1POLBALDH1A1

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-2010129596-A1 PMK2 MODULATORS FOR USE IN THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS, INC. (US) 2010-11-11 — — WO disclosed
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