SCHEMBL12849040

SCHEMBL12849040

CCNCCC(CC)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
MAOA P21397 2/20 0.40
PTGS1 P23219 3/20 0.39
PTGS2 P35354 2/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2D6 P10635 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ALOX12 P18054 2/20 0.38
ACHE P22303 2/20 0.38
SLC22A1 O15245 2/20 0.38
CYP1A2 P05177 2/20 0.38
CHRM2 P08172 2/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 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
SCHEMBL29022155 0.80 PTGS1 (0.45) BCHEMAPTGAAMAOAPTGS1
SCHEMBL29830704 0.80 PTGS1 (0.45) BCHEMAPTGAAMAOAPTGS1
SCHEMBL29127386 0.71 KDM1A (0.46) BCHEMAPTNPSR1MAOAPTGS1
SCHEMBL12386881 0.71 PTGS1 (0.51) BCHEMAPTGAAMAOAPTGS1
SCHEMBL29022142 0.70 BCHE (0.38) BCHEMAPTMAOAPTGS1PTGS2
SCHEMBL29831126 0.70 BCHE (0.38) BCHEMAPTMAOAPTGS1PTGS2
SCHEMBL4595129 0.69 MAOA (0.48) BCHEMAPTGAAMAOAPTGS1
SCHEMBL20348949 0.68 BCHE (0.45) BCHEMAPTGAANPSR1MAOA
SCHEMBL13485697 0.67 CYP2D6 (0.53) BCHEMAPTNPSR1MAOAPTGS1
SCHEMBL627482 0.66 MAOA (0.58) BCHEMAPTMAOAPTGS1PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897311-B2 Phenothiazine containing photogenerating layer photoconductors XEROX CORPORATION (US) 2011-03-01 US disclosed
US-20090274969-A1 PHENOTHIAZINE CONTAINING PHOTOGENERATING LAYER PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-11-05 US disclosed