SCHEMBL8921166

SCHEMBL8921166

Cc1ccc2c(ccc3cnn(NS(=O)(=O)c4cccc(C(F)F)c4)c32)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 2/20 0.32
OPRD1 P41143 1/20 0.32
MEN1 O00255 1/20 0.32
SLC40A1 Q9NP59 2/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
FBP1 P09467 1/20 0.31
CCR1 P32246 1/20 0.30
ELANE P08246 1/20 0.30
ITK Q08881 1/20 0.30
NLRP3 Q96P20 1/20 0.30
SCN9A Q15858 1/20 0.30
CYP1A2 P05177 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
SCHEMBL8917201 0.86 ELANE (0.32) OPRD1CCR1ELANE
SCHEMBL8916271 0.83 CA1 (0.43) CA2KMT2AMEN1SLC40A1HSD17B2
SCHEMBL8916660 0.82 SGK1 (0.33)
SCHEMBL8918537 0.82 FBP1 (0.33) KMT2AMEN1FBP1
SCHEMBL8691401 0.75
SCHEMBL8919620 0.73 MAPT (0.34)
SCHEMBL8919219 0.72 CA1 (0.45) CA2KMT2AMEN1SLC40A1HSD17B2
SCHEMBL8917277 0.72 TRPV4 (0.34) FBP1
SCHEMBL8917188 0.72 PLAU (0.48) CA2KDM4ESCN9A
SCHEMBL8917334 0.72 MEN1 (0.42) KDM4EKMT2AMEN1SLC40A1

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-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed