SCHEMBL6545376

SCHEMBL6545376

N#Cc1c2c(c[nH]c1=O)Sc1ccccc1N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NOX1 Q9Y5S8 2/20 0.44
CYP1A2 P05177 1/20 0.44
BCHE P06276 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAOA P21397 1/20 0.44
CNR1 P21554 1/20 0.44
ACHE P22303 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
PTGS2 P35354 1/20 0.44
SNCA P37840 1/20 0.44

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
SCHEMBL11448067 0.81 MCL1 (0.38) NOX1
SCHEMBL11449619 0.81 BCHE (0.44) GAAMAPTMEN1KMT2ANOX1
SCHEMBL11447803 0.81 NOX1 (0.35) GAAMAPTKMT2ANOX1ALDH1A1
SCHEMBL11448303 0.81 MCL1 (0.36) SNCA
SCHEMBL11448237 0.81 MCL1 (0.36) SNCA
SCHEMBL11448249 0.81 SNCA (0.42) SNCA
SCHEMBL11190834 0.79 MEN1 (0.38) GAAMAPTMEN1KMT2ANOX1
Hydrochloric Acid SCHEMBL11449656 0.79
SCHEMBL11466377 0.77 SNCA (0.51) NOX1SNCA
SCHEMBL11457970 0.76 ALDH1A1 (0.35) ALDH1A1

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 8 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
US-4223136-A 2,3-Dihydro-3-oxo-5H-pyrido[3,4-b][1,4]-benzothiazine-4-carbonitriles G. D. SEARLE & CO. (US) 1980-09-16 US disclosed
US-4223136-A 2,3-Dihydro-3-oxo-5H-pyrido[3,4-b][1,4]-benzothiazine-4-carbonitriles G. D. SEARLE & CO. (US) 1980-09-16 US disclosed
US-4223136-A 2,3-Dihydro-3-oxo-5H-pyrido[3,4-b][1,4]-benzothiazine-4-carbonitriles G. D. SEARLE & CO. (US) 1980-09-16 US disclosed