SCHEMBL14620533

SCHEMBL14620533

CCCCOc1ccc(C(O)CBr)cc1NS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.46
CYP19A1 P11511 2/20 0.43
CACNA1F O60840 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
DRD3 P35462 1/20 0.43
CACNA1D Q01668 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
TRPV1 Q8NER1 3/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL11918930 1.00 ADRB3 (0.46) ADRB3CYP19A1CACNA1FCHRM2ADRA2B
SCHEMBL2056234 0.84 MAPK1 (0.46) ADRB3SLC6A4DRD3
SCHEMBL9908052 0.82 TRPV1 (0.44) ADRB3CYP19A1TRPV1NPC1RAB9A
SCHEMBL6074905 0.81 ADRB3 (0.53) ADRB3CYP19A1
SCHEMBL7119142 0.81 ADRB3 (0.53) ADRB3CYP19A1
SCHEMBL2456888 0.81 ADRB3 (0.53) ADRB3CYP19A1
SCHEMBL14704484 0.79 TRPV1 (0.41) ADRB3CYP19A1TRPV1
SCHEMBL14704368 0.79 TRPV1 (0.40) CYP19A1TRPV1NPC1RAB9A
SCHEMBL11918926 0.77 THRA (0.44) ADRB3CYP19A1NPC1RAB9A
SCHEMBL12305628 0.77 ADRB3 (0.74) ADRB3

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-2007010356-A2 PROCESS FOR THE PREPARATION OF SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2007-01-25 WO disclosed