SCHEMBL6569286

SCHEMBL6569286

Cc1ccsc1[C@H](N)[C@H](C)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
ADRA1D P25100 2/20 0.40
GSK3B P49841 1/20 0.35
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11151827 0.79
SCHEMBL2608970 0.75 ALOX5 (0.47) ALOX5ADRA1DGSK3BNPC1PKM
SCHEMBL827163 0.73
SCHEMBL9151440 0.72 ALOX5 (0.41) ALOX5ADRA1D
SCHEMBL11902940 0.71 ALOX5 (0.51) ALOX5ADRA1DGSK3BNPC1PKM
SCHEMBL19277643 0.71 ALOX5 (0.44) ALOX5ADRA1DGSK3BNPC1RAB9A
SCHEMBL25445382 0.70
SCHEMBL19122447 0.70 ALOX5 (0.46) ALOX5ADRA1DGSK3BNPC1PKM
SCHEMBL11202396 0.70
SCHEMBL12261610 0.69 ALOX5 (0.42) ALOX5ADRA1DNPC1PKMRAB9A

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-1156054-B1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-04-14 EP disclosed
US-6495533-B1 TUMOR NECROSIS FACTOR INHIBITORS; RHEUMATOID ARTHRITIS, ULCERATIVE COLITIS, CROHN'S DISEASE, HEPATITIS, SEPSIS, HEMORRHAGIC SHOCK, MULTIPLE SCLEROSIS, CEREBRAL INFARCTION, DIABETES, INTERSTITIAL PNEUMONIA, PAIN, HIV ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP disclosed