SCHEMBL28029426

SCHEMBL28029426

CCN(CC)Cc1ccc(-c2cc(=O)n(C)nc2-c2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.58
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
ACHE P22303 2/20 0.40
BACE1 P56817 1/20 0.40
MAOB P27338 3/20 0.39
PTGS2 P35354 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
BCHE P06276 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
SCHEMBL28012062 0.86 BRD4 (0.64) BRD4PTGS2FFAR4
SCHEMBL28012175 0.86 BRD4 (0.64) BRD4PTGS2FFAR4
SCHEMBL28012051 0.84 BRD4 (0.65) BRD4KDM4EPTGS2FFAR4
SCHEMBL15538629 0.84 BRD4 (0.61) BRD4PTGS2FFAR4
SCHEMBL15559351 0.83 BRD4 (0.60) BRD4PTGS2FFAR4
SCHEMBL28029416 0.83 BRD4 (0.63) BRD4FFAR4
SCHEMBL15539499 0.82 BRD4 (0.62) BRD4PTGS2FFAR4
SCHEMBL15538363 0.82 BRD4 (0.59) BRD4PTGS2FFAR4
SCHEMBL15541113 0.82 BRD4 (0.58) BRD4PTGS2FFAR4
SCHEMBL20135835 0.82 BRD4 (0.58) BRD4FFAR4

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
CN-104884451-A Pyridinone and pyridazinone derivatives ABBVIE INC 2015-09-02 CN disclosed