SCHEMBL29026435

SCHEMBL29026435

CCOC(=O)c1c[nH]nc1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CRHBP P24387 1/20 0.49
KMT2A Q03164 1/20 0.49
CRHR2 Q13324 1/20 0.49
ALOX5 P09917 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
PDE5A O76074 2/20 0.42
PDE6D O43924 1/20 0.42
PDE6A P16499 1/20 0.42
PDE6G P18545 1/20 0.42
PDE6B P35913 1/20 0.42
PDE6C P51160 1/20 0.42

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
SCHEMBL5055900 0.85 KDM4E (0.48) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5778710 0.84 SMN1; SMN2 (0.52) MAPTKDM4EL3MBTL1RAB9ASMN1; SMN2
SCHEMBL16974089 0.81 KDM4E (0.50) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL27172669 0.79 HDAC4 (0.56) HDAC4HDAC6
SCHEMBL5779014 0.78 PDE3B (0.49) MAPTKDM4EALOX5RAB9ASMN1; SMN2
SCHEMBL5777232 0.78 KDM4E (0.49) KDM4EALDH1A1
SCHEMBL3356162 0.76 KMT2A (0.49) MAPTKDM4EMEN1HSP90AA1KMT2A
SCHEMBL24208448 0.75 ALOX5 (0.47) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL5820787 0.75 PDE3B (0.42) MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL69229 0.75 KDM4E (0.54) MAPTKDM4EMEN1KMT2AL3MBTL1

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-116157394-A Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2023-05-23 CN disclosed