SCHEMBL1423482

SCHEMBL1423482

Cc1ccc(S(=O)(=O)N2CCc3sc(OCCCN4CCCC4)cc3C2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.47
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SLC2A1 P11166 1/20 0.36
▸ MAOB P27338 1/20 0.36

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
SCHEMBL1423087 0.99 HRH3 (0.49) HRH3MEN1KMT2AHTTUSP2
SCHEMBL2914879 0.93 HRH3 (0.47) HRH3MEN1KMT2AHTTUSP2
SCHEMBL2912839 0.92 HRH3 (0.49) HRH3MEN1KMT2AHTTUSP2
SCHEMBL1422860 0.88 HRH3 (0.53) HRH3MEN1KMT2AHTTUSP2
SCHEMBL1423041 0.87 HRH3 (0.55) HRH3POLBKCNH2ALDH1A1KDM4E
SCHEMBL1422845 0.85 HRH3 (0.53) HRH3MEN1KMT2AHTTSMN1; SMN2
SCHEMBL1423049 0.84 HRH3 (0.52) HRH3HTTKCNH2ALDH1A1TSHR
SCHEMBL1422936 0.84 HRH3 (0.66) HRH3MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1423182 0.83 HRH3 (0.45) HRH3KMT2AHTTKCNH2ALDH1A1
SCHEMBL1422794 0.83 HRH3 (0.67) HRH3MEN1KMT2AKCNH2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102214-B1 4, 5, 6, 7-TETRAHYDRO-THIENO [3, 2-C] PYRIDINE DERIVATIVES AS H3 MODULATORS HOFFMANN LA ROCHE (CH) 2011-03-23 — — EP claimed
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