SCHEMBL24348012

SCHEMBL24348012

CC(=O)N1c2ccc(C)cc2CC(C)[C@@H]1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TNF P01375 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
NOTUM Q6P988 2/20 0.43
POLB P06746 2/20 0.41
AADAT Q8N5Z0 1/20 0.41
BRD4 O60885 2/20 0.40
PRNP P04156 1/20 0.40
PKLR P30613 1/20 0.38

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
SCHEMBL21172617 0.85 ALDH1A1 (0.46) KMT2AMEN1NOTUM
SCHEMBL21172721 0.85 ALDH1A1 (0.46) KMT2AMEN1NOTUM
SCHEMBL21172774 0.84 MAPT (0.43) KMT2AMEN1TNFNOD2NOD1
SCHEMBL21172645 0.83 MAPT (0.42) KMT2AMEN1TNFNOD2NOD1
SCHEMBL25008728 0.83 MAPT (0.42) KMT2AMEN1TNFNOD2NOD1
SCHEMBL24348283 0.83 NOTUM (0.48) KMT2AMEN1TNFNOD2NOD1
SCHEMBL24347064 0.82 BRD4 (0.41) KMT2AMEN1TNFNOD2NOD1
SCHEMBL21172461 0.82 BRD4 (0.41) KMT2AMEN1TNFNOD2NOD1
SCHEMBL21172901 0.82 NOTUM (0.47) KMT2AMEN1TNFNOD2NOD1
SCHEMBL21172611 0.82 NOTUM (0.63) KMT2AMEN1NOTUMBRD4

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
EP-3511323-B1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-03-02 EP disclosed