SCHEMBL6545477

SCHEMBL6545477

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 8/20 0.46
ALOX15 P16050 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 3/20 0.43
HTT P42858 2/20 0.43
FGB P02675 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 2/20 0.41
IDH1 O75874 2/20 0.41
GAA P10253 8/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL6545779 0.89 MAPT (0.48) HSD17B10CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL6545261 0.88 ALOX15 (0.42) HSD17B10CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL6545609 0.88 MEN1 (0.42) HSD17B10CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL6545099 0.85 KDM4E (0.50) HSD17B10CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL6545503 0.79 MEN1 (0.37) HSD17B10CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7750822 0.76 KDM4E (0.50) HSD17B10CYP2C19MAPTALOX15MEN1
SCHEMBL12217647 0.65 BRD4 (0.43) HSD17B10CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL16268752 0.63 SNCA (0.42) HSD17B10MAPTALOX15MEN1KMT2A
SCHEMBL10434586 0.62 KDM4E (0.41) HSD17B10CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL16276933 0.62 MAOA (0.43) HSD17B10MAPTALOX15MEN1KMT2A

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