SCHEMBL8540996

SCHEMBL8540996

CCS(=O)(=O)c1cc(C)c(C(=O)Cl)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 17/20 0.39
CCR2 P41597 1/20 0.38
EGLN1 Q9GZT9 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
SCHEMBL8538519 0.90 EGLN1 (0.40) DDR1CCR2EGLN1
SCHEMBL8539475 0.88 THRB (0.35) DDR1CCR2EGLN1
SCHEMBL8538460 0.87 THRB (0.39) CCR2EGLN1
SCHEMBL8537164 0.86 THRB (0.41)
SCHEMBL8541620 0.85 DDR1 (0.39) DDR1CCR2EGLN1
SCHEMBL8541951 0.85 SLC9A1 (0.41) EGLN1
SCHEMBL8536966 0.84 CNR2 (0.32)
SCHEMBL8538459 0.83 AKR1C3 (0.33) DDR1
SCHEMBL8544927 0.82 CA12 (0.30) EGLN1
SCHEMBL8545026 0.81 EGLN1 (0.38) EGLN1

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
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed