SCHEMBL28297024

SCHEMBL28297024

CC1CCC(c2ccc(S(N)(=O)=O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.53
CA2 P00918 15/20 0.50
CA1 P00915 13/20 0.50
CA9 Q16790 11/20 0.50
CA12 O43570 9/20 0.50
CA7 P43166 6/20 0.50
CA14 Q9ULX7 4/20 0.50
CA5A P35218 3/20 0.45
CA5B Q9Y2D0 3/20 0.45
CA6 P23280 2/20 0.45
CA3 P07451 1/20 0.45
CHRNA7 P36544 2/20 0.44
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
CA4 P22748 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AGO2 Q9UKV8 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.41

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
SCHEMBL8323422 0.90 CA2 (0.52) CA2CA1CA9CA12CA7
SCHEMBL6841898 0.82 CHRNA7 (0.59) CA2CA1CA9CA12CA7
SCHEMBL22816328 0.81 ESR2 (0.55) ESR2CA2CA1CA9CA12
SCHEMBL14341830 0.81 LMNA (0.59) CA2CA1CA9CA12CA7
SCHEMBL11196166 0.79 ESR2 (0.77) ESR2
SCHEMBL9494422 0.79 LMNA (0.57) CA2CA1CA9CA12CA7
SCHEMBL28297031 0.79 CA2 (0.43) ESR2CA2CA1CA9CA12
SCHEMBL9827832 0.78 SLC18A3 (0.52) CA2CA1CA9CA12CA7
SCHEMBL22048254 0.78 ESR2 (0.56) ESR2CA2CA1CA9CA12
SCHEMBL11830760 0.76 CA1 (0.55) CA2CA1CA9CA12CA7

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-109715629-A AZA-INDAZOLE COMPOUNDS FOR USE IN TENDON AND/OR LIGAMENT INJURIES 诺华股份有限公司 2019-05-03 CN disclosed