SCHEMBL11375009

SCHEMBL11375009

Fc1ccc2c(c1)Sc1ccc(C(F)(F)F)cc1N2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 12/20 0.69
CYBB P04839 2/20 0.69
NOX3 Q9HBY0 2/20 0.69
NOX4 Q9NPH5 2/20 0.69
MAPT P10636 6/20 0.48
ALOX15 P16050 3/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 5/20 0.43
USP2 O75604 1/20 0.43
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTPN5 P54829 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
SCHEMBL20842835 0.85 NOX1 (0.68) NOX1CYBBNOX3NOX4MAPT
Phenothiazine SCHEMBL6532335 0.82 NOX1 (1.00) NOX1CYBBNOX3NOX4MAPT
SCHEMBL560225 0.82 NOX1 (1.00) NOX1CYBBNOX3NOX4MAPT
SCHEMBL29475150 0.82 NOX1 (1.00) NOX1CYBBNOX3NOX4MAPT
SCHEMBL342918 0.81 NOX1 (0.81) NOX1CYBBNOX3NOX4MAPT
Benzene SCHEMBL29242186 0.81 NOX1 (0.97) NOX1CYBBNOX3NOX4MAPT
SCHEMBL30811565 0.80 NOX1 (0.84) NOX1CYBBNOX3NOX4MAPT
SCHEMBL10372692 0.80 NOX1 (0.84) NOX1CYBBNOX3NOX4MAPT
SCHEMBL23059883 0.78 NOX1 (0.69) NOX1CYBBNOX3NOX4MAPT
SCHEMBL6676353 0.77 NOX1 (1.00) NOX1CYBBNOX3NOX4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4249003-A Process for polycyclic amines AKTIEBOLAGET LEO (SE) 1981-02-03 US claimed