Sugi Predict

Sugi Predict / Compounds / SCHEMBL23745926

SCHEMBL23745926

SCHEMBL23745926

NC/C=C(\F)CS(=O)(=O)c1cccc(NCCCc2cn(CCCCC[C@@H]3SCC4NC(=O)N[C@@H]43)nn2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 12/20 0.48
▸ CA1 P00915 12/20 0.48
▸ CA2 P00918 12/20 0.48
▸ CA9 Q16790 12/20 0.48
▸ SENP1 Q9P0U3 1/20 0.41
▸ OPRM1 P35372 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ PKM P14618 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
SCHEMBL26759470 1.00 CA12 (0.48) CA12CA1CA2CA9SENP1
Hydrochloric Acid SCHEMBL26633061 0.99 CA12 (0.48) CA12CA1CA2CA9SENP1
SCHEMBL26758307 0.90 CA12 (0.47) CA12CA1CA2CA9SENP1
SCHEMBL23745925 0.90 CA12 (0.47) CA12CA1CA2CA9SENP1
Hydrochloric Acid SCHEMBL23723230 0.89 CA12 (0.47) CA12CA1CA2CA9SENP1
SCHEMBL23745934 0.89 CA12 (0.47) CA12CA1CA2CA9SENP1
SCHEMBL26758299 0.89 CA12 (0.47) CA12CA1CA2CA9SENP1
Hydrochloric Acid SCHEMBL23723361 0.88 CA12 (0.46) CA12CA1CA2CA9SENP1
SCHEMBL26543849 0.83 CA12 (0.43) CA12CA1CA2CA9SENP1
Hydrochloric Acid SCHEMBL23723394 0.82 CA12 (0.43) CA12CA1CA2CA9SENP1

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