SCHEMBL29199459

SCHEMBL29199459

CCOC(=O)c1nccc(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NUDT1 P36639 1/20 0.42
CYP1A2 P05177 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE4A P27815 1/20 0.40
THRB P10828 1/20 0.40
JMJD6 Q6NYC1 3/20 0.40
POLB P06746 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
SCHEMBL28337899 0.87 BRD4 (0.49) BRD4MAPTLMNANPC1RAB9A
SCHEMBL25347956 0.85 BRD4 (0.48) BRD4MAPTLMNANPC1RAB9A
SCHEMBL28340169 0.84 BRD4 (0.47) BRD4MAPTLMNANPC1RAB9A
SCHEMBL22395439 0.84 BRD4 (0.47) BRD4MAPTLMNANPC1RAB9A
SCHEMBL25227115 0.81 MAPT (0.51) BRD4MAPTLMNANPC1RAB9A
SCHEMBL30697148 0.81 BRD4 (0.45) BRD4MAPTLMNANPC1RAB9A
SCHEMBL29272499 0.80 KDM4E (0.44) BRD4MAPTLMNANPC1RAB9A
SCHEMBL16505732 0.80 BRD4 (0.60) BRD4MAPTLMNACYP1A2NPSR1
SCHEMBL31453471 0.80 BRD4 (0.60) BRD4MAPTLMNACYP1A2NPSR1
SCHEMBL21843252 0.78 BRD4 (0.56) BRD4MAPTNPC1CYP1A2NPSR1

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-117651698-A Pyridone MK2 inhibitors and uses thereof 新特拉有限公司 2024-03-05 CN disclosed