SCHEMBL21575111

SCHEMBL21575111

CSNC(=O)c1cc(CN(CCc2ccc(Cl)cc2)C2CCN(c3nc(N)n[nH]3)CC2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHIT1 Q13231 20/20 0.50
CHIA Q9BZP6 20/20 0.50
KCNH2 Q12809 18/20 0.50

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
SCHEMBL17838897 0.90 CHIT1 (0.51) CHIT1CHIAKCNH2
SCHEMBL21574964 0.89 CHIT1 (0.55) CHIT1CHIAKCNH2
SCHEMBL21575058 0.89 CHIT1 (0.54) CHIT1CHIAKCNH2
SCHEMBL17838880 0.88 CHIT1 (0.55) CHIT1CHIAKCNH2
SCHEMBL18135550 0.84 CHIT1 (0.61) CHIT1CHIAKCNH2
SCHEMBL17838878 0.84 CHIT1 (0.54) CHIT1CHIAKCNH2
SCHEMBL17838896 0.83 CHIT1 (0.54) CHIT1CHIAKCNH2
SCHEMBL17838867 0.82 CHIT1 (0.54) CHIT1CHIAKCNH2
SCHEMBL16825960 0.82 CHIT1 (0.71) CHIT1CHIAKCNH2
SCHEMBL21574968 0.82 CHIT1 (0.59) CHIT1CHIAKCNH2

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
EP-3233832-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-11-20 EP disclosed