SCHEMBL11572304

SCHEMBL11572304

COc1ccc(C(Cc2ccccc2)S(=O)(=O)C(Cc2ccccc2)c2ccc(OC)c(N)c2)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
PDE4A P27815 2/20 0.40
MAPT P10636 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3958263 0.83 GAA (0.47) GAAALDH1A1CYP3A4CYP2C19PDE4A
SCHEMBL9790492 0.80 ALDH1A1 (0.49) GAAALDH1A1LMNAHTTL3MBTL1
SCHEMBL11573339 0.77 CA1 (0.43) GAAALDH1A1LMNAHTTL3MBTL1
SCHEMBL1406165 0.73 CA1 (0.47) GAAALDH1A1LMNAHTTL3MBTL1
SCHEMBL7152437 0.72 EPHX1 (0.46) ALDH1A1HTTSMN1; SMN2CA1CA2
SCHEMBL9820162 0.71 CNR2 (0.46) GAAALDH1A1LMNAL3MBTL1CYP3A4
SCHEMBL3313738 0.70 CA1 (0.52) GAAALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL11870405 0.69 CA1 (0.46) GAAALDH1A1LMNAHTTL3MBTL1
SCHEMBL3958267 0.69 GAA (0.56) GAAALDH1A1LMNACYP3A4PDE4A
SCHEMBL9790501 0.69 NFKB1 (0.47) GAAALDH1A1LMNAHTTL3MBTL1

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-4125368-A Metallized monoazo dyes TOMS RIVER CHEMICAL CORP. (US) 1978-11-14 US disclosed
US-4058515-A Metallized phenyl-azo-naphthol compounds TOMS RIVER CHEMICAL CORPORATION (US) 1977-11-15 US disclosed