SCHEMBL29050226

SCHEMBL29050226

N#Cc1ccc2nc(C(=O)[O-])c(C#N)c(C#N)c2c1C#N.[Cu+]

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 2/20 0.32
▸ KDM4A O75164 1/20 0.32
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ HIPK2 Q9H2X6 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
Potassium Ion SCHEMBL29058299 0.97 KDM5B (0.32) KDM5BKDM4ACA1CA2HIPK2
SCHEMBL916415 0.71 DHFR (0.35) —
SCHEMBL31399295 0.60 TSHR (0.39) —
SCHEMBL152358 0.60 TSHR (0.39) —
SCHEMBL28344530 0.59 IKBKB (0.44) CA1CA2
SCHEMBL6678615 0.58 LRRK2 (0.41) CA1CA2HIPK2
SCHEMBL5364712 0.58 KDM4E (0.44) CA1CA2
SCHEMBL4847948 0.57 UPP1 (0.35) CA1CA2
SCHEMBL19873366 0.57 TDP1 (0.33) —
SCHEMBL10897843 0.57 CYP1A2 (0.42) —

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-116410248-A Labeled glucamide derivative, preparation method thereof, precursor thereof and application thereof 北京师范大学 2023-07-11 — — CN disclosed
Send feedback