SCHEMBL17598019

SCHEMBL17598019

COc1cccc(Oc2ccc3ccn(S(=O)(=O)c4ccccc4)c3c2)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.85
KMT2A Q03164 2/20 0.85
HTR6 P50406 12/20 0.69
POLB P06746 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
FABP4 P15090 2/20 0.60
CYP3A4 P08684 1/20 0.54
PPARG P37231 2/20 0.52
PPARD Q03181 2/20 0.52
PPARA Q07869 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
PGR P06401 1/20 0.51
MET P08581 1/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HDAC1 Q13547 1/20 0.47

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
SCHEMBL17597311 0.93 MEN1 (0.85) MEN1KMT2AHTR6POLBL3MBTL1
SCHEMBL10345778 0.92 MEN1 (1.00) MEN1KMT2AHTR6POLBL3MBTL1
SCHEMBL29559974 0.92 MEN1 (1.00) MEN1KMT2AHTR6POLBL3MBTL1
SCHEMBL430473 0.82 HTR6 (1.00) MEN1KMT2AHTR6POLBL3MBTL1
SCHEMBL17423758 0.81 MEN1 (0.62) MEN1KMT2AHTR6POLBL3MBTL1
SCHEMBL7245919 0.81 HTR6 (0.69) MEN1KMT2AHTR6POLBL3MBTL1
SCHEMBL1892670 0.81 HTR6 (0.78) MEN1KMT2AHTR6POLBL3MBTL1
SCHEMBL27879729 0.78 MEN1 (0.72) MEN1KMT2AHTR6POLBL3MBTL1
SCHEMBL3965144 0.76 HTR6 (0.70) MEN1KMT2AHTR6POLBL3MBTL1
SCHEMBL28857217 0.76 MEN1 (0.70) MEN1KMT2AHTR6POLBL3MBTL1

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
WO-2016040764-A1 CARBONYL LINKED BICYCLIC HETEROARYL N-BENZIMIDAZOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS SPERO THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed