SCHEMBL30565899

SCHEMBL30565899

NS(=O)(=O)c1ccc2c(c1)CNCN2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.58
CA2 P00918 10/20 0.58
CA12 O43570 7/20 0.58
CA9 Q16790 6/20 0.58
PNMT P11086 7/20 0.55
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
CA7 P43166 4/20 0.46
CA14 Q9ULX7 4/20 0.46
LMNA P02545 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL3366561 1.00 CA1 (0.58) CA1CA2CA12CA9PNMT
SCHEMBL17825055 0.83 CA12 (0.40) CA1CA2CA12CA9PNMT
SCHEMBL18022665 0.77 PNMT (0.74) CA1CA2CA12CA9PNMT
SCHEMBL29710882 0.76 CA1 (0.81) CA1CA2CA12CA9PNMT
SCHEMBL3238863 0.76 CA1 (0.81) CA1CA2CA12CA9PNMT
SCHEMBL29290371 0.75 PDE3B (0.56) CA1CA2CA12CA9PNMT
Hydrochloric Acid SCHEMBL19712095 0.75 PNMT (0.72) CA1CA2CA12CA9PNMT
SCHEMBL28181041 0.75 PNMT (0.72) CA1CA2CA12CA9PNMT
SCHEMBL4162141 0.73 CA1 (1.00) CA1CA2CA12CA9PNMT
SCHEMBL31231831 0.73 CA1 (1.00) CA1CA2CA12CA9PNMT

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-2023175185-A1 2,4-DIOXO-1,4-DIHYDROQUINAZOLINE DERIVATIVES AS PARG INHIBITORS FOR THE TREATMENT OF CANCER FORX THERAPEUTICS AG (CH) 2023-09-21 WO disclosed