SCHEMBL6545780

SCHEMBL6545780

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 2/20 0.38
KCNT1 Q5JUK3 1/20 0.38
MAPT P10636 5/20 0.37
GAA P10253 4/20 0.37
KDM4E B2RXH2 2/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 4/20 0.36
HTT P42858 3/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 1/20 0.36
FGB P02675 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35

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 0.90 MAPT (0.48) MEN1KMT2APOLBMAPTGAA
SCHEMBL6545261 0.89 ALOX15 (0.42) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL6545503 0.88 MEN1 (0.37) MEN1KMT2APOLBKCNT1MAPT
SCHEMBL7750822 0.85 KDM4E (0.50) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL6545477 0.79 HSD17B10 (0.48) MEN1KMT2APOLBMAPTGAA
SCHEMBL6545609 0.76 MEN1 (0.42) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL489387 0.66 MAPT (0.60) TDP2MEN1KMT2APOLBMAPT
SCHEMBL1185078 0.66 MEN1 (0.53) TDP2MEN1KMT2APOLBKCNT1
SCHEMBL862757 0.63 MEN1 (0.49) TDP2MEN1KMT2APOLBKCNT1
SCHEMBL26656408 0.63 TDP2 (0.52) TDP2MEN1KMT2APOLBMAPT

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