SCHEMBL11518495

SCHEMBL11518495

COc1cc(S(=O)(=O)N(C)CCS(=O)(=O)O)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.43
▸ MAPT P10636 4/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ TSHR P16473 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ GAA P10253 2/20 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
SCHEMBL11587279 0.87 PTGS2 (0.47) PDE4DMAPTSIGMAR1ALDH1A1KMT2A
SCHEMBL29811288 0.86 KMT2A (0.54) PDE4DMAPTSIGMAR1ALDH1A1TSHR
SCHEMBL23144411 0.86 KMT2A (0.54) PDE4DMAPTSIGMAR1ALDH1A1TSHR
SCHEMBL11517824 0.81 CA12 (0.47) ALDH1A1TSHRCYP3A4HSD17B10KMT2A
SCHEMBL11683437 0.80 POLB (0.40) MAPTALDH1A1TSHRCYP3A4HSD17B10
SCHEMBL29306680 0.80 PDE4D (0.52) PDE4DMAPTSIGMAR1ALDH1A1TSHR
SCHEMBL4609607 0.78 MAPT (0.66) MAPTALDH1A1TSHRCYP3A4HSD17B10
SCHEMBL11515956 0.78 FFAR4 (0.42) ALDH1A1KMT2ARXFP1GAA
SCHEMBL11522008 0.77 CYP2D6 (0.49) SIGMAR1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL29811696 0.77 L3MBTL1 (0.53) PDE4DMAPTALDH1A1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4180503-A FOR DYEING POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-12-25 — — US disclosed
US-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 — — US disclosed
US-4060521-A POLYAMIDE BAYER AKTIENGESELLSCHAFT (DT) 1977-11-29 — — US disclosed
US-4055557-A MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-25 — — US disclosed
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