Sugi Predict

Sugi Predict / Compounds / SCHEMBL23745925

SCHEMBL23745925

SCHEMBL23745925

NC/C=C(\F)CS(=O)(=O)c1cccc(N(CCCc2cn(CCCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn2)CCCc2cn(CCCCC[C@@H]3SCC4NC(=O)N[C@@H]43)nn2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 14/20 0.47
▸ CA1 P00915 14/20 0.47
▸ CA2 P00918 14/20 0.47
▸ CA9 Q16790 14/20 0.47
▸ SENP1 Q9P0U3 1/20 0.39
▸ OPRM1 P35372 1/20 0.37
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35

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
Hydrochloric Acid SCHEMBL23723230 0.99 CA12 (0.47) CA12CA1CA2CA9SENP1
SCHEMBL23745926 0.90 CA12 (0.48) CA12CA1CA2CA9SENP1
SCHEMBL23745934 0.90 CA12 (0.47) CA12CA1CA2CA9SENP1
Hydrochloric Acid SCHEMBL23723361 0.89 CA12 (0.46) CA12CA1CA2CA9SENP1
Hydrochloric Acid SCHEMBL23723394 0.83 CA12 (0.43) CA12CA1CA2CA9SENP1
SCHEMBL23723342 0.77 CA12 (0.44) CA12CA1CA2CA9SENP1
SCHEMBL30633635 0.74 CA12 (0.42) CA12CA1CA2CA9SENP1
Hydrochloric Acid SCHEMBL23723283 0.72 CA12 (0.56) CA12CA1CA2CA9SENP1
SCHEMBL23745961 0.71 CA12 (0.52) CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL23723289 0.71 CA12 (0.51) CA12CA1CA2CA9

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
WO-2021155439-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2021-08-12 — — WO disclosed