SCHEMBL8544927

SCHEMBL8544927

CCC(C)S(=O)(=O)c1cc(C)c(C(=O)Cl)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
AKR1C3 P42330 2/20 0.30
AKR1C2 P52895 2/20 0.30
SLC9A1 P19634 1/20 0.30
AKR1B10 O60218 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C1 Q04828 1/20 0.30
CTSS P25774 1/20 0.30
POLB P06746 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL8544918 0.90 POLB (0.31) POLB
SCHEMBL8538459 0.88 AKR1C3 (0.33) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL8539826 0.87 EGLN1 (0.30) EGLN1
SCHEMBL8545026 0.87 EGLN1 (0.38) CA12CA1CA2CA9SLC9A1
SCHEMBL8540996 0.82 DDR1 (0.39) EGLN1
SCHEMBL6938087 0.82 SLC9A1 (0.54) SLC9A1
SCHEMBL8538210 0.81 SLC9A1 (0.44) CA12CA1CA2CA9SLC9A1
SCHEMBL8541951 0.79 SLC9A1 (0.41) SLC9A1EGLN1
SCHEMBL8538519 0.79 EGLN1 (0.40) EGLN1
SCHEMBL8536966 0.78 CNR2 (0.32) CA12CA1CA2CA9SLC9A1

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