SCHEMBL24529331

SCHEMBL24529331

COc1cnc(Br)cc1-c1cc2ccnn2c(S(C)(=O)=O)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.34
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MITF O75030 1/20 0.31
LMNA P02545 1/20 0.31
STAT3 P40763 1/20 0.31
HTT P42858 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
DYRK1A Q13627 1/20 0.31
CHRNA7 P36544 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
PIK3CD O00329 1/20 0.30

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
SCHEMBL24529289 0.84 HCRTR2 (0.35) HCRTR2KDM4EHPGDNPSR1SUV39H2
SCHEMBL24387354 0.82 HCRTR2 (0.34) HCRTR2SUV39H2DYRK1A
SCHEMBL24387355 0.80 HCRTR2 (0.34) HCRTR2
SCHEMBL2211698 0.75 DHODH (0.44) KDM4EHPGDNPSR1MITFLMNA
SCHEMBL2876715 0.73 PLCG1 (0.43) KDM4EHPGDNPSR1LMNAMEN1
SCHEMBL2881702 0.72 KDM4E (0.45) KDM4EHPGDNPSR1LMNADYRK1A
SCHEMBL24529459 0.69 HCRTR2 (0.35) HCRTR2MEN1KMT2A
SCHEMBL2214323 0.68 ALDH1A1 (0.41) KDM4EHPGDNPSR1LMNAHTT
SCHEMBL2209412 0.68 ABL1 (0.41) KDM4EHPGDNPSR1LMNAHTT
SCHEMBL2214081 0.68 SCD (0.42) KDM4EHPGDNPSR1LMNASTAT3

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
EP-4262788-A1 UREA OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-10-25 EP disclosed
WO-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 WO disclosed
WO-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 WO disclosed