SCHEMBL6545779

SCHEMBL6545779

CCOC(=O)C1C(=O)C2=C(CC1C)Nc1ccc(C)cc1S2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
GAA P10253 5/20 0.48
ALOX12 P18054 1/20 0.48
HSD17B10 Q99714 5/20 0.43
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 4/20 0.43
POLB P06746 2/20 0.43
USP2 O75604 1/20 0.43
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 2/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 2/20 0.40
RECQL P46063 1/20 0.39
KDM4E B2RXH2 3/20 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
SCHEMBL6545503 0.90 MEN1 (0.37) MAPTMEN1KMT2AGAAALOX12
SCHEMBL6545477 0.89 HSD17B10 (0.48) MAPTMEN1KMT2AGAAALOX12
SCHEMBL7750822 0.87 KDM4E (0.50) MAPTMEN1KMT2AGAAHSD17B10
SCHEMBL6545609 0.77 MEN1 (0.42) MAPTMEN1KMT2AGAAHSD17B10
SCHEMBL6545261 0.77 ALOX15 (0.42) MAPTMEN1KMT2AGAAHSD17B10
SCHEMBL13295304 0.62 TDP2 (0.49) MAPTMEN1KMT2AGAAALOX12
SCHEMBL10256197 0.62 MEN1 (0.41) MAPTMEN1KMT2AGAAALOX12
SCHEMBL16153700 0.62 MAPT (0.76) MAPTMEN1KMT2AGAAHSD17B10
SCHEMBL1184871 0.61 ALDH1A1 (0.53) MAPTMEN1KMT2AGAAHSD17B10
SCHEMBL1184356 0.61 GAA (0.53) MAPTMEN1KMT2AGAAHSD17B10

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