SCHEMBL5317893

SCHEMBL5317893

COc1ccc(CCCN)cc1S(N)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
PKM P14618 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
NFKB1 P19838 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
APEX1 P27695 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA5A P35218 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TAAR1 Q96RJ0 2/20 0.47
MAPK1 P28482 1/20 0.47
GLA P06280 1/20 0.46

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
Hydrochloric Acid SCHEMBL9632054 0.98 LMNA (0.51) TSHRPKMCYP1A2CYP3A4NFKB1
Hydrochloric Acid SCHEMBL9632837 0.94 LMNA (0.50) TSHRPKMCYP1A2CYP3A4NFKB1
SCHEMBL142264 0.91 KDM4E (0.62) TSHRPKMCYP1A2CYP3A4NFKB1
Hydrochloric Acid SCHEMBL7473440 0.89 LMNA (0.62) TSHRPKMCYP1A2CYP3A4NFKB1
SCHEMBL6039195 0.88 CA2 (0.53) TSHRPKMCYP1A2CYP3A4NFKB1
SCHEMBL10415138 0.87 CA2 (0.54) PKMCYP1A2CYP3A4CA12CA1
SCHEMBL10639502 0.84 PKM (0.53) TSHRPKMCYP1A2CYP3A4NFKB1
SCHEMBL1803675 0.84 PKM (0.56) TSHRPKMCYP1A2CYP3A4NFKB1
SCHEMBL10864729 0.84 PKM (0.47) TSHRPKMCYP1A2CYP3A4NFKB1
SCHEMBL28732677 0.84 PKM (0.55) TSHRPKMCYP1A2CYP3A4NFKB1

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
WO-2007086074-A2 A PROCESS FOR THE PREPARATION OF R (-) TAMSULOSIN HYDROCHLORIDE USV LIMITED (IN) 2007-08-02 WO disclosed
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN disclosed