SCHEMBL9056479

SCHEMBL9056479

C=CC(OS(=O)(=O)c1ccc(C)cc1)n1ccc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
VDR P11473 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
USP2 O75604 1/20 0.36
ESR1 P03372 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 3/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35

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
SCHEMBL9044989 0.71 VDR (0.51) VDRMEN1KMT2AUSP2ESR1
SCHEMBL4081738 0.68 SLC6A4 (0.56) SLC6A2SLC6A4
SCHEMBL4864044 0.68 C5AR1 (0.41) VDRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17128410 0.68 TUBB4A (0.39) VDRMEN1KMT2AESR1ALDH1A1
SCHEMBL24805444 0.67 TLR9 (0.43) VDRMEN1KMT2AESR1CYP1A2
SCHEMBL10904787 0.67 KMT2A (0.46) SLC6A2SLC6A4MEN1KMT2AALDH1A1
SCHEMBL5412423 0.67 CA12 (0.42) VDRMEN1KMT2AALDH1A1HTT
SCHEMBL5011366 0.67 GAA (0.45) VDRMEN1KMT2ACYP3A4CYP2C9
SCHEMBL8571194 0.66 HTT (0.45) VDRMEN1KMT2AALDH1A1HTT
SCHEMBL28750987 0.66 HTT (0.46) SLC6A2SLC6A4MEN1KMT2AUSP2

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