SCHEMBL9505634

SCHEMBL9505634

Nc1ccccc1OC1CCSCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.41
ALDH1A1 P00352 3/20 0.41
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MCHR1 Q99705 3/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNG1 Q06432 1/20 0.36
CACNB2 Q08289 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
SCHEMBL6905082 0.86 ALDH1A1 (0.48) HRH1ALDH1A1ADRA2BPTGS1TDP1
SCHEMBL1134126 0.82 MCHR1 (0.50) HRH1ALDH1A1ADRA2BPTGS1TDP1
SCHEMBL3799059 0.81 MCHR1 (0.53) HRH1ALDH1A1ADRA2BPTGS1TDP1
SCHEMBL29527476 0.81 MCHR1 (0.53) HRH1ALDH1A1ADRA2BPTGS1TDP1
Aniline SCHEMBL22169159 0.79 ALDH1A1 (0.42) HRH1ALDH1A1ADRA2BPTGS1TDP1
SCHEMBL8785098 0.78 MCHR1 (0.55) HRH1ALDH1A1ADRA2BPTGS1TDP1
SCHEMBL5341225 0.78 HRH1 (0.41) HRH1ALDH1A1TDP1CACNB4CACNA1A
SCHEMBL2334040 0.78 HRH1 (0.62) HRH1SLC6A2SLC6A3HTR1ASLC6A4
SCHEMBL358791 0.78 ALDH1A1 (0.41) HRH1ALDH1A1ADRA2BPTGS1TDP1
SCHEMBL3798831 0.78 KAT2B (0.53) HRH1ALDH1A1ADRA2BPTGS1TDP1

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-0317332-B1 SULFONANILIDE COMPOUNDS TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-05-19 EP disclosed
US-4885367-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION TAISHO PHARMACEUTICAL CO., LTD. (JP) 1989-12-05 US disclosed
EP-0317332-A2 Sulfonanilide compounds TAISHO PHARMACEUTICAL CO. LTD (JP) 1989-05-24 EP disclosed