SCHEMBL9633286

SCHEMBL9633286

COc1ccc(CC(C)=O)cc1S(=O)(=O)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 3/20 0.59
POLB P06746 3/20 0.59
GAA P10253 2/20 0.59
RAB9A P51151 2/20 0.59
HPGD P15428 1/20 0.59
NPBWR1 P48145 1/20 0.58
KMT2A Q03164 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 1/20 0.54
UBE2N P61088 1/20 0.54

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
SCHEMBL9633601 0.99 POLB (0.60) TSHRKDM4EALDH1A1POLBGAA
SCHEMBL9631897 0.89 ALDH1A1 (0.60) TSHRALDH1A1POLBGAAKMT2A
SCHEMBL9632623 0.88 TSHR (0.69) TSHRALDH1A1POLBKMT2AL3MBTL1
SCHEMBL9632879 0.88 TSHR (0.53) TSHRPOLBGAAKMT2AL3MBTL1
SCHEMBL1001171 0.78 RAB9A (0.72) TSHRKDM4EALDH1A1POLBGAA
SCHEMBL7661191 0.78 RAB9A (0.72) TSHRKDM4EALDH1A1POLBGAA
SCHEMBL30610782 0.77 PKM (0.57) TSHRALDH1A1GAAHPGDKMT2A
SCHEMBL30997420 0.77 CA5A (0.47) TSHRALDH1A1POLBGAAHPGD
SCHEMBL48765 0.77 PKM (0.57) TSHRALDH1A1GAAHPGDKMT2A
SCHEMBL29944324 0.77 KMT2A (0.74) TSHRKDM4EALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331943-B1 PHENOXYETHYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR EXHIBITING EXCELLENT ALPHA-1-BLOCKING ACTIVITY CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1992-06-17 EP disclosed
US-4971990-A HYPOTENSIVE AGENTS, DYSUREA HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed
EP-0331943-A1 Phenoxyethylamine derivatives, process for preparing the same, and composition for exhibiting excellent alpha-1-blocking activity containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-09-13 EP disclosed