SCHEMBL11141365

SCHEMBL11141365

Nc1cccc(-n2[nH]c(C(=O)O)cc2=O)c1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALKBH5 Q6P6C2 17/20 0.47
▸ CTSA P10619 3/20 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
SCHEMBL9558930 0.82 ALKBH5 (0.51) ALKBH5CTSA
SCHEMBL693607 0.79 ALKBH5 (0.48) ALKBH5CTSA
SCHEMBL8176870 0.77 ALKBH5 (0.45) ALKBH5
SCHEMBL10413613 0.76 ALKBH5 (0.39) ALKBH5CTSA
SCHEMBL10390925 0.76 ALKBH5 (0.43) ALKBH5CTSA
SCHEMBL11228689 0.76 ALKBH5 (0.52) ALKBH5CTSA
SCHEMBL11137446 0.76 ALKBH5 (0.40) ALKBH5
SCHEMBL7830050 0.75 ALKBH5 (0.45) ALKBH5
SCHEMBL8076096 0.75 ALKBH5 (0.45) ALKBH5
SCHEMBL693103 0.75 ALKBH5 (0.64) ALKBH5CTSA

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
US-4378312-A CONTAINING 1,3,5-TRIAZINE RING(S); WILL FORM COMPLEX WITH COPPER, COBALT OR CHROMIUM HOECHST AKTIENGESELLSCHAFT (DE) 1983-03-29 — — US disclosed
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