SCHEMBL9044989

SCHEMBL9044989

Cc1ccc(S(=O)(=O)On2ccc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.51
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 1/20 0.42
ESR1 P03372 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 4/20 0.41
ALDH3A1 P30838 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL8368446 0.75 VDR (0.58) VDRALDH1A1HPGDKDM4EMEN1
SCHEMBL9037283 0.73 CYP24A1 (0.53) ALDH1A1HPGDMEN1KMT2AUSP2
SCHEMBL29414854 0.73 HTR6 (0.75) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL1673252 0.73 HTR6 (0.75) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6247012 0.72 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL1203289 0.72 HTR6 (0.73) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL10395507 0.72 VDR (0.57) VDRALDH1A1HPGDKDM4EMEN1
SCHEMBL8122231 0.72 CYP24A1 (0.62) ALDH1A1MEN1KMT2AUSP2ESR1
SCHEMBL9056488 0.71 HTT (0.43) VDRALDH1A1HPGDMEN1KMT2A
SCHEMBL9056479 0.71 SLC6A2 (0.38) VDRALDH1A1HPGDKDM4EMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445781-B1 3-Arylcarbonyl-1-aminoalkyl-1H-indole containing antiglaucoma compositions STERLING WINTHROP INC (US) 1996-01-31 EP disclosed
EP-0445781-A1 3-Arylcarbonyl-1-aminoalkyl-1H-indole containing antiglaucoma compositions STERLING WINTHROP INC. (US) 1991-09-11 EP disclosed
US-5013837-A Treatment of glaucoma STERLING DRUG INC. (US) 1991-05-07 US disclosed
US-4973587-A 3-arylcarbonyl-1-aminoalkyl-1H-indole-containing antiglaucoma method STERLING DRUG INC. (US) 1990-11-27 US disclosed