SCHEMBL8541505

SCHEMBL8541505

CCc1cc(S(=O)(=O)C(C)(C)C)c(C(F)(F)F)cc1C(=O)Cl

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 3/20 0.32
GSTO1 P78417 1/20 0.32
CNR2 P34972 1/20 0.31
ALOX15 P16050 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
CCR2 P41597 2/20 0.30
TRPV4 Q9HBA0 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
SCHEMBL8541620 0.87 DDR1 (0.39) DDR1CCR2
SCHEMBL8542335 0.83 EGLN1 (0.37) DDR1GSTO1
SCHEMBL8542924 0.83 EGLN1 (0.40) DDR1CCR2
SCHEMBL8536966 0.82 CNR2 (0.32) GSTO1CNR2ALOX15CA12CA1
SCHEMBL8539798 0.82 AKR1C3 (0.32) DDR1GSTO1
SCHEMBL8539830 0.81 THRB (0.37) DDR1CNR2CCR2
SCHEMBL8539826 0.81 EGLN1 (0.30)
SCHEMBL8538912 0.81 CCR2 (0.34) DDR1CNR2CA12CA1CA2
SCHEMBL8543319 0.80 HSD11B1 (0.41) CA12CA1CA2CA4CA6
SCHEMBL8537724 0.80 THRB (0.41) CNR2CCR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5782934-A Process of dyeing with disazo dyes containing a fluorosulphonyl group and use thereof ZENECA LIMITED (GB) 1998-07-21 US disclosed
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed