SCHEMBL27522705

SCHEMBL27522705

CN1CCN(c2cccc(N[SH](=O)=O)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 1/20 0.54
▸ HTR2A P28223 2/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ HTR6 P50406 1/20 0.51
▸ HTR1D P28221 1/20 0.49
▸ HTR1B P28222 1/20 0.49
▸ KDM1A O60341 1/20 0.47
▸ RCOR1 Q9UKL0 1/20 0.47
▸ CASP3 P42574 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ AGXT P21549 1/20 0.46
▸ HTR3A P46098 1/20 0.45
▸ PLOD2 O00469 1/20 0.45
▸ PLOD3 O60568 1/20 0.45
▸ PLOD1 Q02809 1/20 0.45
▸ SETD2 Q9BYW2 1/20 0.44
▸ JAK2 O60674 4/20 0.43

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
SCHEMBL2378486 0.80 ADRA2C (0.61) ADRA2CHTR2AHTR1AHTR2CHTR7
SCHEMBL14922328 0.80 ALDH1A1 (0.52) ADRA2CKDM1A
SCHEMBL13996557 0.79 ADRA2C (0.56) ADRA2CHTR2AHTR1AHTR2CHTR7
SCHEMBL5543193 0.78 ADRA2C (0.54) ADRA2CHTR2AHTR1AHTR2CHTR7
SCHEMBL5543197 0.78 ADRA2C (0.54) ADRA2CHTR2AHTR1AHTR2CHTR7
SCHEMBL27773145 0.78 NPC1 (0.40) ADRA2CHTR2AHTR1AHTR1DHTR1B
SCHEMBL28000258 0.77 HTR2A (0.64) ADRA2CHTR2AHTR1AHTR2CHTR7
SCHEMBL30577378 0.77 HTR1D (0.60) HTR2AHTR1AHTR7HTR1DHTR1B
SCHEMBL18230177 0.77 HTR7 (0.63) ADRA2CHTR2AHTR1AHTR2CHTR7
SCHEMBL25156906 0.76 ADRA2C (0.56) ADRA2CHTR2AHTR1AHTR2CHTR7

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
CN-1246116-A Sulfonamide derivatives, process for their preparation and their use as medicaments SMITHKLINE BEECHAM PLC (GB) 2000-03-01 — — CN claimed
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