SCHEMBL28397690

SCHEMBL28397690

CC(=O)NC1CCC(c2cc(C)ccc2S(=O)(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.44
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 3/20 0.42
CA7 P43166 3/20 0.42
CA14 Q9ULX7 3/20 0.42
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.39
CA9 Q16790 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HTR2A P28223 1/20 0.37
DRD3 P35462 1/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9101971 0.86 PTGDR2 (0.39) EPHX2CA1CA2KMT2AMAPT
SCHEMBL28851424 0.84 JAK2 (0.44) EPHX2KMT2AMAPTL3MBTL1
SCHEMBL29062245 0.84 JAK2 (0.44) EPHX2KMT2AMAPTL3MBTL1
SCHEMBL6942857 0.84 JAK2 (0.44) EPHX2KMT2AMAPTL3MBTL1
SCHEMBL2217850 0.82 PTGDR2 (0.46) EPHX2KMT2AMAPTMEN1
SCHEMBL3387056 0.80 PTGDR2 (0.36) EPHX2CA1CA2KMT2AMAPT
SCHEMBL5278348 0.80 PTGDR2 (0.47) EPHX2KMT2AMAPTMEN1
SCHEMBL30764027 0.80 PTGDR2 (0.43) EPHX2L3MBTL1
SCHEMBL778056 0.79 PTGDR2 (0.35) EPHX2CA1CA2KMT2AMAPT
SCHEMBL361128 0.79 PTGDR2 (0.49) EPHX2KMT2AMAPTMEN1

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
CN-111032641-A Substituted 5-cyanoindole compounds and uses thereof 诺华股份有限公司 2020-04-17 CN disclosed