SCHEMBL13798702

SCHEMBL13798702

Bc1cc(C)c(Sc2nc(Nc3ccc(C#N)cc3)nc(C)c2[N+](=O)[O-])c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 9/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
CARM1 Q86X55 1/20 0.36
PRMT1 Q99873 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
MERTK Q12866 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ABCC3 O15438 1/20 0.36
ESR1 P03372 1/20 0.36
CYP1A2 P05177 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL4106690 0.90 L3MBTL1 (0.43) L3MBTL1MAPTMEN1KMT2ATDP1
SCHEMBL3838724 0.76 ABCG2 (0.35) L3MBTL1MAPTMEN1KMT2ATDP1
SCHEMBL3838720 0.76 ABCG2 (0.35) L3MBTL1MAPTMEN1KMT2ATDP1
SCHEMBL10195625 0.72 L3MBTL1 (0.55) L3MBTL1MAPTMEN1KMT2ATDP1
SCHEMBL3819235 0.71 CYP2C9 (0.58) L3MBTL1MAPTMEN1KMT2ATDP1
SCHEMBL13798730 0.71 L3MBTL1 (0.53) L3MBTL1MAPTMEN1KMT2ATDP1
SCHEMBL9726900 0.70 MERTK (0.51) L3MBTL1MAPTMEN1KMT2ATDP1
SCHEMBL12715754 0.70 DHODH (0.39) ABCG2CYP2C9CYP2C19ABCC3ESR1
SCHEMBL13798731 0.70 CYP2C9 (0.38) L3MBTL1MAPTMEN1KMT2ATDP1
SCHEMBL12715758 0.69 TTK (0.41) ABCG2CYP2C9CYP2C19ABCC3ESR1

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
WO-2009079412-A2 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC. (US) 2009-06-25 WO disclosed