SCHEMBL4774934

SCHEMBL4774934

COc1ccc(S(=O)(=O)C(O)c2c[nH]c3ccc(Cl)cc23)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
IDO1 P14902 3/20 0.43
SRC P12931 1/20 0.43
NR4A2 P43354 2/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 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
SCHEMBL4769973 0.92 HTR2B (0.52) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL4770631 0.89 HTR2A (0.46) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL946709 0.86 NR3C1 (0.47) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL949737 0.85 HTR2A (0.49) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL950364 0.84 MEN1 (0.56) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL4778974 0.84 CTSV (0.46) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL948077 0.83 MGAM (0.45) NR4A2MGAMGAASIMGAM2
SCHEMBL948641 0.78 HTR2A (0.51) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL950480 0.77 HTR2A (0.55) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL950579 0.76 GUSB (0.47) MEN1KMT2ANR4A2MGAMGAA

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