SCHEMBL7671937

SCHEMBL7671937

O=S(=O)(c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)oc1N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 1.00
LMNA P02545 1/20 1.00
ALDH1A1 P00352 4/20 0.67
MAPT P10636 3/20 0.67
HPGD P15428 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
HTR6 P50406 1/20 0.67
KMT2A Q03164 3/20 0.65
MEN1 O00255 1/20 0.65
MAPK1 P28482 1/20 0.65
KDM4E B2RXH2 1/20 0.61
GAA P10253 1/20 0.61
TSHR P16473 1/20 0.61
THRB P10828 2/20 0.60
PLA2G1B P04054 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59

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
SCHEMBL7669650 0.90 POLB (0.81) POLBLMNAALDH1A1MAPTHPGD
SCHEMBL7675868 0.89 POLB (0.80) POLBLMNAALDH1A1MAPTKMT2A
SCHEMBL7669051 0.81 HTR6 (0.78) POLBLMNAALDH1A1MAPTHPGD
SCHEMBL3756898 0.78 POLB (0.84) POLBLMNAALDH1A1MAPTHPGD
SCHEMBL7665354 0.77 ALDH1A1 (0.78) POLBLMNAALDH1A1MAPTHPGD
SCHEMBL3766151 0.76 TP53 (0.91) POLBALDH1A1MAPTHPGDNPSR1
SCHEMBL3760191 0.76 MAPT (1.00) ALDH1A1MAPTHPGDNPSR1KMT2A
SCHEMBL7665352 0.74 ALDH1A1 (0.84) POLBLMNAALDH1A1MAPTHPGD
SCHEMBL7674814 0.74 MAPT (0.70) POLBLMNAALDH1A1MAPTHPGD
SCHEMBL3755285 0.73 L3MBTL1 (0.81) POLBALDH1A1MAPTHTR6KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441013-B1 5-HT6 RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS MERCK PATENT GMBH (DE) 2002-08-27 US disclosed
EP-1140875-A1 SULPHONYLOXAZOLAMINES AS THERAPEUTIC ACTIVE INGREDIENTS MERCK PATENT GmbH (DE) 2001-10-10 EP disclosed
WO-2000037452-A1 SULPHONYLOXAZOLAMINES AS THERAPEUTIC ACTIVE INGREDIENTS MERCK PATENT GMBH (DE) 2000-06-29 WO disclosed