SCHEMBL4363789

SCHEMBL4363789

CCOc1ccc(-n2[nH]c(=O)c3cc(NS(=O)(=O)c4cc(C)c(Cl)cc4C)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
LMNA P02545 7/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTR6 P50406 1/20 0.43
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
HTT P42858 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 2/20 0.40
THRB P10828 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4362689 0.88 POLB (0.48) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL4370085 0.87 ALOX15 (0.42) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL4359570 0.76 NR3C1 (0.48) ALDH1A1LMNAMEN1KMT2AHTR6
SCHEMBL1811576 0.75 HSD17B1 (0.47) LMNAMEN1KMT2AHTR6HSD17B1
SCHEMBL3917146 0.73 HSD17B1 (0.45) LMNAMEN1KMT2AHTR6HSD17B1
SCHEMBL5615200 0.72 GSPT1 (0.47) LMNAMEN1KMT2AHTR6MAPT
SCHEMBL3903960 0.70 LMNA (0.42) LMNAMEN1KMT2AHTR6HSD17B1
SCHEMBL24876039 0.69 MEN1 (0.72) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL3913044 0.69 BRD4 (0.46)
SCHEMBL24876052 0.69 LMNA (0.64) ALDH1A1LMNAMEN1KMT2AHTT

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-1797042-B1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-01-07 EP claimed