SCHEMBL9534370

SCHEMBL9534370

C#CC(C)(C)Oc1ccccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.58
▸ HSD11B1 P28845 7/20 0.40
▸ KMT2A Q03164 1/20 0.38
▸ ABCC9 O60706 2/20 0.37
▸ ABCC8 Q09428 2/20 0.37
▸ KCNJ11 Q14654 2/20 0.37
▸ KCNJ8 Q15842 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL9294669 0.79 SMN1; SMN2 (0.46) HTR6HSD11B1KMT2AABCC9ABCC8
SCHEMBL22954102 0.77 HTR6 (0.61) HTR6HSD11B1KMT2AABCC9ABCC8
SCHEMBL6913555 0.74 HTR6 (1.00) HTR6KMT2AABCC9ABCC8KCNJ11
SCHEMBL23519060 0.72 HTR6 (0.54) HTR6HSD11B1KMT2AABCC9ABCC8
SCHEMBL16649192 0.71 ALDH1A1 (0.40) HTR6HSD11B1KMT2AHTTTP53
SCHEMBL11350300 0.71 TDP1 (0.39) KMT2ATSHRGAA
SCHEMBL30620480 0.71 TSHR (0.38) KMT2ATSHRTP53
SCHEMBL18247354 0.70 HTR6 (0.66) HTR6KMT2ATP53RXFP1
SCHEMBL4028049 0.70 HTR6 (0.66) HTR6KMT2ATSHRHTTPOLB
SCHEMBL5366367 0.69 HTR7 (0.37) —

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
EP-0277612-B1 SUBSTITUTED 3,4-DIHYDRO-2H-BENZOPYRANES, PROCESS FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS BASED ON THESE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-28 — — EP disclosed
EP-0277612-A2 Substituted 3,4-dihydro-2H-benzopyranes, process for their preparation, their use and pharmaceutical preparations based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-10 — — EP disclosed
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