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Sugi Predict / Compounds / SCHEMBL25100893

SCHEMBL25100893

SCHEMBL25100893

Cc1cnc(-c2ccc(-c3ccccc3-c3cc(CCc4ccc(-c5ccccn5)cc4)cc(CCc4ccc(-c5ccccn5)cc4)c3)cc2)cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRS3 P32247 6/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ NMBR P28336 1/20 0.36
▸ GRPR P30550 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ EDNRB P24530 1/20 0.35
▸ EDNRA P25101 1/20 0.35
▸ WNT3A P56704 6/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL25100892 0.91 PTGS2 (0.35) BRS3FFAR1FFAR4
SCHEMBL23956168 0.91 EDNRB (0.37) EDNRBEDNRAWNT3A
SCHEMBL25100496 0.87 EDNRA (0.36) BRS3EDNRAFFAR1FFAR4OPRK1
SCHEMBL25100931 0.85 FFAR1 (0.39) BRS3NR1I2NMBRGRPRKCNH2
SCHEMBL25100802 0.84 BRS3 (0.35) BRS3NR1I2NMBRGRPRKCNH2
SCHEMBL21290352 0.84 PDK2 (0.39) BRS3NR1I2NMBRGRPRKCNH2
SCHEMBL21289929 0.84 BRS3 (0.39) BRS3NR1I2NMBRGRPRKCNH2
SCHEMBL25100807 0.83 WNT3A (0.35) BRS3NR1I2NMBRGRPRKCNH2
SCHEMBL25100764 0.81 CHRM5 (0.36) WNT3A
SCHEMBL23956245 0.81 PTGS2 (0.39) —

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-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 — — EP disclosed