SCHEMBL10679151

SCHEMBL10679151

COc1ccc(N(C)C(=O)c2c(O)c3cc(OC)ccc3n(C)c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ PGR P06401 1/20 0.60
▸ HDAC4 P56524 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.45
▸ PDK1 Q15118 1/20 0.45
▸ PDK2 Q15119 1/20 0.45
▸ PDK3 Q15120 1/20 0.45
▸ PDK4 Q16654 1/20 0.45
▸ HIF1A Q16665 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL10672221 0.93 MEN1 (0.56) KMT2AMEN1PGRHDAC4TP53
SCHEMBL10676615 0.93 MEN1 (0.71) KMT2AMEN1PGRHDAC4TP53
SCHEMBL9199879 0.89 KMT2A (0.54) KMT2AMEN1PGRHDAC4TP53
SCHEMBL10678936 0.88 MEN1 (0.78) KMT2AMEN1PGRHDAC4TP53
SCHEMBL9287071 0.81 ALDH1A1 (0.42) KMT2AMEN1PGRTP53HIF1A
SCHEMBL11404065 0.81 HIF1A (0.54) KMT2AMEN1HIF1AALDH1A1KDM4E
SCHEMBL9266139 0.81 MEN1 (0.54) KMT2AMEN1PGRHIF1AALDH1A1
SCHEMBL10670471 0.80 MEN1 (0.76) KMT2AMEN1PGRHDAC4TP53
SCHEMBL8086963 0.79 GSK3B (0.43) KMT2AMEN1PGRHDAC4TP53
SCHEMBL10671530 0.79 MEN1 (0.55) KMT2AMEN1PGRHDAC4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4738971-A ENHANCED CELL-MEDIATED IMMUNITY; ANTIARTHRITIC AGENTS; NONTOXIC AKTIEBOLASET LEO (SE) 1988-04-19 — — US disclosed
US-4547511-A FOR ENHANCIN CELL-MEDIATED IMMUNITY AKTIEBOLAGET LEO (SE) 1985-10-15 — — US disclosed
EP-0059698-B1 HETEROCYCLIC CARBOXAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND METHODS OF TREATMENT THEREWITH AB LEO (SE) 1985-09-25 — — EP disclosed
EP-0059698-A1 Heterocyclic carboxamides, compositions containing such compounds, processes for their preparation and methods of treatment therewith AB LEO (SE) 1982-09-08 — — EP disclosed
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