SCHEMBL11556058

SCHEMBL11556058

Cc1c(C(=O)c2ccc(Br)c(S(N)(=O)=O)c2)n(C)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KMT2A Q03164 3/20 0.40
▸ PKM P14618 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CA12 O43570 4/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MMP2 P08253 1/20 0.38

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
SCHEMBL11554821 0.87 MMP2 (0.50) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11558589 0.87 ALDH1A1 (0.47) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11554835 0.76 ACLY (0.43) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11555047 0.74 MMP2 (0.53) ALDH1A1CA12CA9CA1CA2
SCHEMBL11555434 0.73 CA1 (0.50) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL11557285 0.73 CA1 (0.52) ALDH1A1KMT2ACA12CA9CA1
SCHEMBL11553460 0.73 TSHR (0.46) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11553411 0.71 CNR2 (0.40) HSD17B10MAPK1CA1CA2MMP2
SCHEMBL11552685 0.71 NR4A2 (0.46) ALDH1A1HSD17B10KMT2APKMNPSR1
SCHEMBL11555575 0.71 CYP2C19 (0.62) TSHRALDH1A1HPGDHSD17B10KMT2A

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-4156732-A Certain pharmaceutical sulfamoylbenzoyl benzofurans, benzothiophenes, and indoles HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-29 — — US disclosed
EP-0000128-A1 Sulfamoylaryl ketones, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-10 — — EP disclosed
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