SCHEMBL2914879

SCHEMBL2914879

Cc1ccc(S(=O)(=O)N2CCc3cc(OCCCN4CCCC4)sc3C2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.47
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 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 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2912839 0.99 HRH3 (0.49) HRH3HTTMEN1KMT2AUSP2
SCHEMBL1423482 0.93 HRH3 (0.47) HRH3HTTMEN1KMT2AUSP2
SCHEMBL1423087 0.92 HRH3 (0.49) HRH3HTTMEN1KMT2AUSP2
SCHEMBL2907126 0.88 HRH3 (0.53) HRH3HTTMEN1KMT2AUSP2
SCHEMBL2907958 0.87 HRH3 (0.55) HRH3POLBKCNH2ALDH1A1KDM4E
SCHEMBL2913116 0.85 HRH3 (0.53) HRH3HTTMEN1KMT2ASMN1; SMN2
SCHEMBL2909750 0.84 HRH3 (0.52) HRH3HTTALDH1A1TSHRL3MBTL1
SCHEMBL2906731 0.84 HRH3 (0.66) HRH3MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2913129 0.84 HRH3 (0.51) HRH3KMT2APOLBALDH1A1KDM4E
SCHEMBL2910178 0.84 HRH3 (0.51) HRH3MEN1KMT2AALDH1A1L3MBTL1

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-2102215-B1 4,5,6,7-TETRAHYDRO-THIENO [2,3-C]PYRIDINES AS H3 MODULATORS HOFFMANN LA ROCHE (CH) 2010-09-01 — — EP claimed
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