SCHEMBL9847694

SCHEMBL9847694

O=C1CC2(CCN(C(=O)c3ccccc3)CC2)S(=O)(=O)c2sccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.45
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
PPARG P37231 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
DDB1 Q16531 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 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
SCHEMBL10258144 0.81 CRBN (0.49) CRBNALDH1A1SIGMAR1DDB1HDAC3
SCHEMBL8911981 0.74 ALDH1A1 (0.47) CRBNALDH1A1NPC1PPARGHTT
SCHEMBL8912970 0.68 ALDH1A1 (0.44) CRBNALDH1A1NPC1PPARGHTT
SCHEMBL21276068 0.67 SIGMAR1 (0.60) CRBNALDH1A1SIGMAR1HPGDCHRM2
SCHEMBL471434 0.67 CRBN (0.47) CRBNALDH1A1SIGMAR1DDB1HDAC3
SCHEMBL3977397 0.65 HPGD (0.58) CRBNALDH1A1SIGMAR1HPGDCHRM2
SCHEMBL7129676 0.65 HPGD (0.79) ALDH1A1SIGMAR1HPGDPOLBLMNA
SCHEMBL252026 0.65 HPGD (0.79) ALDH1A1SIGMAR1HPGDPOLBLMNA
SCHEMBL9928309 0.65 HPGD (0.61) CRBNALDH1A1SIGMAR1HPGDCHRM2
SCHEMBL31435878 0.65 HPGD (0.61) CRBNALDH1A1SIGMAR1HPGDCHRM2

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
EP-0452151-A1 Substituted aromatic sulfonamides as antiglaucoma agents MERCK & CO. INC. (US) 1991-10-16 EP disclosed