SCHEMBL4779072

SCHEMBL4779072

COc1ccc2[nH]cc(C(O)S(=O)(=O)c3c(C)noc3C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
MTNR1A P48039 4/20 0.47
MTNR1B P49286 3/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.41
CYP2C19 P33261 5/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
USP2 O75604 3/20 0.41
CYP2D6 P10635 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
NR4A2 P43354 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
SCHEMBL4794417 0.85 POLB (0.40) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL4779142 0.85 HTR6 (0.39) HTR2AHTR2CMAPTMEN1KMT2A
SCHEMBL948941 0.82 EDNRA (0.43) HTR2AHTR2CHTR2BMAPTALDH1A1
SCHEMBL4778319 0.81 MGAM (0.42) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL950480 0.79 HTR2A (0.55) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL948778 0.79 MAPT (0.61) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL950574 0.78 MAPT (0.55) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL4769973 0.77 HTR2B (0.52) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL946609 0.76 SMN1; SMN2 (0.58) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL948641 0.76 HTR2A (0.51) HTR2AHTR2CHTR2BMTNR1AMTNR1B

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-1581492-B1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2008-07-16 EP disclosed