SCHEMBL9813142

SCHEMBL9813142

O=C(Oc1ccc2c(c1Cl)Sc1ccccc1N2)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.45
MAPT P10636 6/20 0.39
GAA P10253 6/20 0.39
KMT2A Q03164 5/20 0.39
NOX1 Q9Y5S8 4/20 0.39
MEN1 O00255 4/20 0.39
ALOX15 P16050 3/20 0.39
SNCA P37840 2/20 0.39
CYBB P04839 1/20 0.39
APP P05067 1/20 0.39
NOX3 Q9HBY0 1/20 0.39
NOX4 Q9NPH5 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
SLC6A3 Q01959 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9813179 0.85 NOX1 (0.44) HPGDMAPTGAAKMT2ANOX1
SCHEMBL9813167 0.81 NOX1 (0.41) MAPTGAAKMT2ANOX1MEN1
SCHEMBL1509822 0.74 NOX1 (0.47) MAPTGAAKMT2ANOX1MEN1
SCHEMBL10788315 0.74 KMT2A (0.58) HPGDMAPTGAAKMT2ANOX1
SCHEMBL9813115 0.72 NOX1 (0.52) HPGDMAPTGAAKMT2ANOX1
SCHEMBL10500786 0.70 MAPT (0.44) HPGDMAPTGAAKMT2ANOX1
Benzophenone SCHEMBL28599856 0.68 NOX1 (0.65) MAPTGAAKMT2ANOX1MEN1
SCHEMBL20594004 0.66 NOX1 (0.52) MAPTGAAKMT2ANOX1MEN1
Phenothiazine SCHEMBL1509832 0.66 NOX1 (0.74) MAPTGAAKMT2ANOX1MEN1
SCHEMBL28614029 0.66 NOX1 (0.46) HPGDMAPTGAAKMT2ANOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0138481-B1 LEUKOTRIENE BIOSYNTHESIS INHIBITORS MERCK FROSST CANADA INC. (CA) 1991-06-26 EP disclosed
US-4845083-A PHENOTHIAZINE DERIVATIVES AND ANALOGS MERCK FROSST CANADA, INC. (CA) 1989-07-04 US disclosed
EP-0138481-A2 Leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1985-04-24 EP disclosed