SCHEMBL9800403

SCHEMBL9800403

N#CCc1c[nH]c2ccc(CCS(N)(=O)=O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.53
HTR1A P08908 8/20 0.43
HTR1B P28222 6/20 0.43
HTR1D P28221 5/20 0.43
HTR2A P28223 2/20 0.40
HTR2B P41595 2/20 0.40
MPO P05164 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR2C P28335 1/20 0.40
HTR1E P28566 1/20 0.40
HTR1F P30939 1/20 0.40
HTR7 P34969 1/20 0.40
HTR3A P46098 1/20 0.40
HTR5A P47898 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL10494772 0.87 CSNK2A1 (0.56) CSNK2A1HTR1AHTR1BHTR1DHTR2A
SCHEMBL9800390 0.84 CSNK2A1 (0.50) CSNK2A1HTR1AHTR1BHTR1DHTR2A
SCHEMBL9800423 0.84 HTR1B (0.54) CSNK2A1HTR1AHTR1BHTR1DHTR2A
SCHEMBL9800331 0.79 HTR1A (0.66) HTR1AHTR1BHTR1DHTR2AHTR2B
SCHEMBL14964100 0.76 CSNK2A1 (0.63) CSNK2A1HTR1AHTR1BHTR1DHTR2A
SCHEMBL9765114 0.76 HTR1D (0.65) CSNK2A1HTR1AHTR1BHTR1DHTR2A
SCHEMBL10755540 0.76 CSNK2A1 (0.52) CSNK2A1HTR1AHTR1BHTR1DHTR2A
SCHEMBL8785278 0.74 HTR1A (0.67) CSNK2A1HTR1AHTR1BHTR1DHTR2A
Oxalic Acid SCHEMBL9800367 0.74 KMT2A (0.60) HTR1AHTR1BHTR1DHTR2AHTR2B
SCHEMBL9800356 0.73 CSNK2A1 (0.52) CSNK2A1HTR1AHTR1BHTR1DMPO

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
US-4994483-A 5-substituted-3-aminoalkyl indole derivatives for migraine GLAXO GROUP LIMITED (GB) 1991-02-19 US disclosed