SCHEMBL11532165

SCHEMBL11532165

O=S(=O)(O)c1ccc(Nc2ncnc(N[N]c3ccccc3)n2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.41
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ SNCA P37840 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TNNI3K Q59H18 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PTK2 Q05397 1/20 0.34
▸ CDC7 O00311 2/20 0.34
▸ DAPK3 O43293 2/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ CDK5 Q00535 2/20 0.34
▸ DYRK1A Q13627 2/20 0.34

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
SCHEMBL11531321 0.87 FUT8 (0.42) LRRK2CA1CA2SNCANPC1
SCHEMBL9422589 0.76 LRRK2 (0.45) LRRK2CA1CA2SNCACDK2
SCHEMBL11315254 0.71 LRRK2 (0.41) LRRK2CA1CA2CDK2CHAT
SCHEMBL9009756 0.70 CA2 (0.46) LRRK2CA1CA2NPC1RAB9A
SCHEMBL11532173 0.69 CA1 (0.34) CA1CA2SNCAPOLBSCN1A
SCHEMBL10621640 0.69 CASR (0.44) LRRK2NPC1RAB9ASMN1; SMN2TNNI3K
SCHEMBL18902955 0.67 TNNI3K (0.40) LRRK2CA1CA2SNCATNNI3K
SCHEMBL11134269 0.66 PTK2 (0.43) LRRK2TNNI3KPTK2AURKB
SCHEMBL7718715 0.65 LRRK2 (0.40) LRRK2CA1CA2SNCA
SCHEMBL27410410 0.65 DAPK3 (0.46) CA1CA2SNCACDC7DAPK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4141890-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1979-02-27 — — US claimed
US-4092308-A 4-Sulphomethyl substituted hydroxypyridone azo dyestuffs CIBA-GEIGY CORPORATION (US) 1978-05-30 — — US claimed
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