SCHEMBL29026440

SCHEMBL29026440

Cc1cc(CO)cnc1OC(F)C(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
CYP2A6 P11509 1/20 0.31
FFAR1 O14842 1/20 0.30

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
SCHEMBL29026433 0.84 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL10088555 0.82 S1PR1 (0.36) HCRTR1HCRTR2PIK3R1PIK3CACYP2A6
SCHEMBL2714312 0.79 SCN9A (0.35) PIK3R1PIK3CACYP2A6FFAR1
SCHEMBL29026409 0.76 AAK1 (0.36)
SCHEMBL26202199 0.75 S1PR1 (0.36) PIK3R1PIK3CACYP2A6FFAR1
SCHEMBL2716226 0.75 MAPK1 (0.43)
SCHEMBL2712954 0.73 PTGS2 (0.39) FFAR1
SCHEMBL30391692 0.73 PTGS2 (0.39) FFAR1
SCHEMBL15350942 0.72 SSTR4 (0.37) FFAR1
SCHEMBL29026448 0.72 ATM (0.43) CYP2A6

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