SCHEMBL6545609

SCHEMBL6545609

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
HSD17B10 Q99714 3/20 0.42
ALOX15 P16050 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
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 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 2/20 0.41
IDH1 O75874 2/20 0.40
GAA P10253 5/20 0.40
TP53 P04637 1/20 0.38

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) MEN1MAPTKMT2AHSD17B10ALOX15
SCHEMBL6545261 0.87 ALOX15 (0.42) MEN1MAPTKMT2AHSD17B10ALOX15
SCHEMBL6545099 0.84 KDM4E (0.50) MEN1MAPTKMT2AHSD17B10ALOX15
SCHEMBL6545779 0.77 MAPT (0.48) MEN1MAPTKMT2AHSD17B10ALOX15
SCHEMBL7750822 0.72 KDM4E (0.50) MEN1MAPTKMT2AHSD17B10ALOX15
SCHEMBL1185552 0.65 CES1 (0.41) TP53
SCHEMBL1184778 0.64 CES1 (0.40)
SCHEMBL16268752 0.63 SNCA (0.42) MEN1MAPTKMT2AHSD17B10ALOX15
SCHEMBL21061419 0.62 AHR (0.50) MEN1MAPTKMT2ATP53ALDH1A1
SCHEMBL16268272 0.62 SNCA (0.51) MEN1MAPTKMT2AHSD17B10ALOX15

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