SCHEMBL11532173

SCHEMBL11532173

O=S(=O)(O)c1ccc(NN(Nc2ncncn2)c2ccccc2)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.34
▸ CA2 P00918 5/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA5B Q9Y2D0 1/20 0.34
▸ SCN8A Q9UQD0 7/20 0.34
▸ SCN1A P35498 6/20 0.34
▸ SCN5A Q14524 6/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ SNCA P37840 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32

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
SCHEMBL9422589 0.78 LRRK2 (0.45) CA1CA2CA9ALDH1A1SNCA
SCHEMBL11532165 0.69 LRRK2 (0.41) CA1CA2CA5ACA7CA5B
SCHEMBL11315254 0.68 LRRK2 (0.41) CA1CA2CA9ALDH1A1KMT2A
SCHEMBL10586071 0.66 TIMP3 (0.44) ALDH1A1POLBSNCAMEN1KMT2A
SCHEMBL11716215 0.64 CA2 (0.49) CA1CA2CA9ALDH1A1KMT2A
SCHEMBL11721290 0.64 CA2 (0.71) CA1CA2CA5ACA7CA5B
SCHEMBL149505 0.63 CA1 (0.74) CA1CA2CA9ALDH1A1MEN1
SCHEMBL10585378 0.63 TIMP3 (0.35) ALDH1A1SNCAMEN1KMT2A
Hydrochloric Acid SCHEMBL27729129 0.62 CA1 (0.72) CA1CA2CA9ALDH1A1MEN1
SCHEMBL11516706 0.62 CA2 (0.45) CA1CA2CA9ALDH1A1MEN1

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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