SCHEMBL6545099

SCHEMBL6545099

COC(=O)C1C(=O)C2=C(CC1C)Nc1ccccc1S2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
TSHR P16473 1/20 0.50
IDH1 O75874 2/20 0.49
GAA P10253 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 4/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
PABPC1 P11940 1/20 0.43
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
FGB P02675 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL7750822 0.87 KDM4E (0.50) KDM4ETSHRIDH1GAAMAPT
SCHEMBL6545477 0.85 HSD17B10 (0.48) KDM4ETSHRIDH1GAAMAPT
SCHEMBL6545261 0.84 ALOX15 (0.42) KDM4ETSHRIDH1GAAMAPT
SCHEMBL6545609 0.84 MEN1 (0.42) KDM4ETSHRIDH1GAAMAPT
SCHEMBL6545779 0.74 MAPT (0.48) KDM4ETSHRGAAMAPTMEN1
SCHEMBL6545369 0.71 MAPT (0.59) TSHRGAAMAPTMEN1KMT2A
SCHEMBL10381886 0.62 ALDH1A1 (0.43) KDM4ETSHRGAAMAPTHSD17B10
SCHEMBL8567223 0.62 HSD17B10 (0.44) KDM4ETSHRMAPTMEN1KMT2A
SCHEMBL8444707 0.62 HSD17B10 (0.44) KDM4ETSHRMAPTMEN1KMT2A
SCHEMBL8567220 0.62 HSD17B10 (0.44) KDM4ETSHRMAPTMEN1KMT2A

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