SCHEMBL7189579

SCHEMBL7189579

CC(=O)ONC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
TSHR P16473 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPIA P62937 2/20 0.40
ATM Q13315 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL1961387 0.87 HTR7 (0.48) POLBKMT2AMEN1LMNAGAA
SCHEMBL144326 0.75 KMT2A (0.65) POLBKMT2AMEN1LMNAGAA
SCHEMBL28621243 0.74 BCHE (0.51) POLBKMT2AMEN1LMNAGAA
SCHEMBL27575643 0.74 KMT2A (0.48) POLBKMT2AMEN1LMNAGAA
SCHEMBL367886 0.72 KMT2A (0.61) POLBKMT2AMEN1LMNAGAA
SCHEMBL3503936 0.71 MAPT (0.56) POLBKMT2AMEN1LMNAGAA
SCHEMBL4402923 0.71 POLB (0.71) POLBKMT2AMEN1LMNAGAA
SCHEMBL30341829 0.71 POLB (0.71) POLBKMT2AMEN1LMNAGAA
Hydrochloric Acid SCHEMBL29012769 0.70 KMT2A (0.59) POLBKMT2AMEN1LMNAGAA
SCHEMBL29273709 0.70 MAPT (0.65) KMT2AMEN1LMNAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6593084-B2 Carcinogen assay Bird, Robert E. 2003-07-15 US disclosed
US-20020086288-A1 CARCINOGEN ASSAY BIRD, ROBERT E. 2002-07-04 US disclosed
EP-1121466-A1 CARCINOGEN ASSAY Bioreliance Testing and Development, Inc. (US) 2001-08-08 EP disclosed
WO-2000022168-A9 CARCINOGEN ASSAY MA BIOSERVICES INC (US) 2000-09-14 WO disclosed
WO-2000022168-A1 CARCINOGEN ASSAY BIORELIANCE TESTING AND DEVELOPMENT, INC. (US) 2000-04-20 WO disclosed