SCHEMBL21172811

SCHEMBL21172811

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
TNF P01375 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
AADAT Q8N5Z0 1/20 0.43
BRD4 O60885 2/20 0.42
PKLR P30613 1/20 0.40
THRB P10828 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
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
SCHEMBL24348283 0.85 NOTUM (0.48) NOTUMTNFNOD2NOD1AADAT
SCHEMBL21172901 0.84 NOTUM (0.47) NOTUMTNFNOD2NOD1AADAT
SCHEMBL21172814 0.83 TDP1 (0.43) NOTUMTNFNOD2NOD1BRD4
SCHEMBL21173212 0.83 TDP1 (0.43) NOTUMTNFNOD2NOD1BRD4
SCHEMBL21173006 0.82 KDM4E (0.43) NOTUMTNFNOD2NOD1BRD4
SCHEMBL21172659 0.82 KDM4E (0.43) NOTUMTNFNOD2NOD1BRD4
SCHEMBL26079156 0.82 NOTUM (0.64) NOTUMTNFNOD2NOD1BRD4
SCHEMBL21172478 0.81 BRD4 (0.43) NOTUMBRD4PKLRLMNA
SCHEMBL21172725 0.81 NOTUM (0.67) NOTUMKMT2AMEN1LMNA
SCHEMBL24347713 0.81 NOTUM (0.67) NOTUMKMT2AMEN1LMNA

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-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GlaxoSmithKline Intellectual Property (No.2) Limited (GB) 2019-07-17 EP disclosed