SCHEMBL28060198

SCHEMBL28060198

C=CC(c1ccc(CN)cc1)S(=O)(=O)n1ccc(C=O)c1

nearest known ligand 0.30

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ 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

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
SCHEMBL27915239 0.81 KDM4E (0.33) —
SCHEMBL28060151 0.75 PSIP1 (0.31) —
SCHEMBL27725335 0.74 HDAC1 (0.53) —
SCHEMBL27744017 0.74 CFTR (0.32) —
SCHEMBL27725303 0.72 HDAC1 (0.43) —
SCHEMBL27520313 0.72 CA1 (0.41) CA12CA1CA2CA4CA6
SCHEMBL27736333 0.71 TSHR (0.35) CA12CA1CA2CA4CA6
SCHEMBL28060197 0.69 HDAC1 (0.32) CA12CA1CA2CA4CA6
SCHEMBL27591138 0.68 — —
SCHEMBL28777481 0.68 HDAC3 (0.35) —

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-105492429-A Heteroaryl inhibitors of SUMO activating enzyme MILLENNIUM PHARM INC 2016-04-13 — — CN disclosed
Send feedback