SCHEMBL10899533

SCHEMBL10899533

O=S(=O)(O)c1ccccc1-c1cc[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGAM1 P18669 1/20 0.35
▸ MYC P01106 1/20 0.34
▸ NFKB1 P19838 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ ALPL P05186 1/20 0.34
▸ PLCG1 P19174 1/20 0.34
▸ TNNI3 P19429 1/20 0.34
▸ TNNT2 P45379 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ TNNC1 P63316 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ TTR P02766 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ DDX3X O00571 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
SCHEMBL1981166 0.83 CA1 (0.41) CYP2C9
SCHEMBL29512307 0.83 CA1 (0.41) CYP2C9
SCHEMBL458284 0.74 SMN1; SMN2 (0.48) PGAM1MYCNFKB1L3MBTL1KDM4A
SCHEMBL28837581 0.72 SMN1; SMN2 (0.46) PGAM1MYCNFKB1L3MBTL1KDM4A
SCHEMBL6349171 0.72 POLB (0.31) SMN1; SMN2TDP1KDM4EMAP2K7GMNN
SCHEMBL206363 0.72 IDO1 (0.53) NFKB1USP2TTRSMN1; SMN2TSHR
SCHEMBL5010922 0.71 KDM4E (0.52) L3MBTL1KDM4AALPLKDM4CSMN1; SMN2
SCHEMBL21874742 0.71 BCAT2 (0.36) ALPLKDM4CSMN1; SMN2TSHRALDH1A1
SCHEMBL14414917 0.71 PGAM1 (0.34) PGAM1MYCNFKB1L3MBTL1KDM4A
SCHEMBL14058259 0.71 — —

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-4594411-A Sulfonated monoazo colorant lake obtained by di-azo coupling of 5-acetylamino-2-aminobenzene-1-sulfonic acid with 1-(3'-sulfophenyl)-3-methylphyrazol-5-one BASF AKTIENGESELLSCHAFT (DE) 1986-06-10 — — US disclosed
US-4594411-A Sulfonated monoazo colorant lake obtained by di-azo coupling of 5-acetylamino-2-aminobenzene-1-sulfonic acid with 1-(3'-sulfophenyl)-3-methylphyrazol-5-one BASF AKTIENGESELLSCHAFT (DE) 1986-06-10 — — US disclosed
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