SCHEMBL6545194

SCHEMBL6545194

O=C1CCCC2=C1Sc1ccccc1N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 1.00
GAA P10253 9/20 1.00
MEN1 O00255 7/20 1.00
KMT2A Q03164 7/20 1.00
PABPC1 P11940 1/20 1.00
NPSR1 Q6W5P4 2/20 0.60
MAPK1 P28482 3/20 0.55
ALOX15 P16050 2/20 0.55
HTT P42858 2/20 0.55
FGB P02675 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NOX1 Q9Y5S8 4/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL22879389 0.74 GAA (0.59) MAPTGAAMEN1KMT2APABPC1
SCHEMBL6545369 0.74 MAPT (0.59) MAPTGAAMEN1KMT2APABPC1
SCHEMBL12463182 0.71 L3MBTL1 (0.66) MAPTGAAMEN1KMT2APABPC1
SCHEMBL12462878 0.71 L3MBTL1 (0.66) MAPTGAAMEN1KMT2APABPC1
SCHEMBL16268747 0.68 GAA (0.63) MAPTGAAMEN1KMT2APABPC1
SCHEMBL2279059 0.68 GAA (0.51) MAPTGAAMEN1KMT2APABPC1
SCHEMBL9628939 0.66 NPC1 (0.53) MAPTGAAMEN1KMT2APABPC1
SCHEMBL4293844 0.66 MEN1 (0.59) MAPTGAAMEN1KMT2APABPC1
Phenothiazine SCHEMBL9114 0.65 NOX1 (1.00) MAPTGAAMEN1KMT2ANPSR1
Phenothiazine SCHEMBL2504207 0.65 NOX1 (1.00) MAPTGAAMEN1KMT2ANPSR1

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