SCHEMBL6502792

SCHEMBL6502792

COC(=O)N(NC1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.44
▸ GPR3 P46089 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ TSHR P16473 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CA12 O43570 1/20 0.36

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
SCHEMBL20503351 0.81 KMT2A (0.54) KMT2AGAAGPR3MEN1LMNA
SCHEMBL21925560 0.77 MAPT (0.41) KMT2AGPR3MEN1LMNAPOLB
SCHEMBL3044362 0.76 GPR3 (0.46) KMT2AGAAGPR3MEN1LMNA
SCHEMBL17456836 0.74 GPR3 (0.44) KMT2AGAAGPR3MEN1LMNA
SCHEMBL27819079 0.73 GPR3 (0.43) KMT2AGAAGPR3MEN1LMNA
SCHEMBL27549930 0.72 GPR3 (0.42) KMT2AGAAGPR3MEN1LMNA
SCHEMBL28494353 0.72 POLB (0.41) KMT2AGAAGPR3POLBMAPT
SCHEMBL4600049 0.71 GPR3 (0.41) KMT2AGAAGPR3POLBMAPT
SCHEMBL1830100 0.71 GPR3 (0.41) KMT2AGAAGPR3MEN1LMNA
SCHEMBL31355068 0.71 GPR3 (0.41) KMT2AGAAGPR3POLBMAPT

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-2005028449-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF 1,2-DISUBSTITUTED HEXAHYDROPYRIDAZINE-3-CARBOXYLIC ACIDS AND ESTERS THEREOF HONEYWELL SPECIALTY CHEMICALS SEELZE GMBH (DE) 2005-03-31 — — WO disclosed
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