SCHEMBL6545261

SCHEMBL6545261

COC(=O)C1C(=O)C2=C(CC1C)Nc1ccc(Br)cc1S2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.42
MAPT P10636 5/20 0.42
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
FGB P02675 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
IDH1 O75874 2/20 0.40
GAA P10253 8/20 0.40
ALDH1A1 P00352 5/20 0.36

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
SCHEMBL6545477 0.88 HSD17B10 (0.48) ALOX15MAPTHSD17B10KDM4EMEN1
SCHEMBL6545609 0.87 MEN1 (0.42) ALOX15MAPTHSD17B10KDM4EMEN1
SCHEMBL6545099 0.84 KDM4E (0.50) ALOX15MAPTHSD17B10KDM4EMEN1
SCHEMBL6545779 0.77 MAPT (0.48) ALOX15MAPTHSD17B10KDM4EMEN1
SCHEMBL7750822 0.72 KDM4E (0.50) ALOX15MAPTHSD17B10KDM4EMEN1
SCHEMBL31396195 0.63 KDM4E (0.44) KDM4EHTTKMT2AHPGDGAA
SCHEMBL16268752 0.63 SNCA (0.42) ALOX15MAPTHSD17B10KDM4EMEN1
SCHEMBL16268272 0.62 SNCA (0.51) ALOX15MAPTHSD17B10KDM4EMEN1
SCHEMBL30675690 0.61 GAA (0.43) RECQLGAA
SCHEMBL25766504 0.61 GAA (0.43) RECQLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027055-B1 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4(10H)-ONE DERIVATIVES UNIV HOWARD (US) 2004-01-07 EP disclosed
EP-1027055-A4 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4(10H)-ONE DERIVATIVES UNIV HOWARD (US) 2001-12-05 EP disclosed
EP-1027055-A1 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4(10H)-ONE DERIVATIVES HOWARD UNIVERSITY (US) 2000-08-16 EP disclosed
US-5994349-A ANTIEPILEPTIC AGENTS HOWARD UNIVERSITY (US) 1999-11-30 US disclosed
WO-1999021560-A1 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4[10H]-ONE DERIVATIVES HOWARD UNIVERSITY (US) 1999-05-06 WO disclosed