SCHEMBL5805852

SCHEMBL5805852

COc1ccc(C(C)CNC(=O)CCl)cc1S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ ADRA1A P35348 4/20 0.42
▸ ADRB2 P07550 2/20 0.42
▸ ADRB1 P08588 2/20 0.42
▸ HTR1A P08908 2/20 0.42
▸ ADRA2A P08913 2/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ ADRA2B P18089 2/20 0.42
▸ ADRA2C P18825 2/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ F10 P00742 1/20 0.41

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
SCHEMBL5807728 0.89 NPSR1 (0.41) PKMNPSR1F10ALDH1A1SMN1; SMN2
SCHEMBL5322077 0.81 ADRA1A (0.52) TDP1ADRA1AADRB2ADRB1HTR1A
SCHEMBL10642171 0.76 PKM (0.51) PKMADRA1AADRB2ADRB1HTR1A
SCHEMBL5059304 0.75 ADRA1D (0.56) PKMTDP1ADRA1AADRB2ADRB1
SCHEMBL5059309 0.75 ADRA1D (0.56) PKMTDP1ADRA1AADRB2ADRB1
SCHEMBL5804284 0.75 MEN1 (0.50) HTTALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL31411917 0.74 ALDH1A1 (0.57) PKMNPSR1F10ALDH1A1SMN1; SMN2
SCHEMBL10642055 0.74 ALDH1A1 (0.57) PKMNPSR1F10ALDH1A1SMN1; SMN2
SCHEMBL10842372 0.72 ACHE (0.52) NPSR1ALDH1A1CA1CA2ACHE
SCHEMBL10842678 0.72 ACHE (0.52) NPSR1ALDH1A1CA1CA2ACHE

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
WO-2006070285-A2 ENZYMATIC PREPARATION OF AN INTERMEDIATE COMPOUND FOR THE SYNTHESIS OF TAMSULOSIN QUIMICA SINTETICA, S.A. (ES) 2006-07-06 — — WO disclosed
Send feedback