SCHEMBL13680343

SCHEMBL13680343

CCc1ccc([N+](=O)[O-])c(NC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.50
KAT2B Q92831 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.48
HCAR3 P49019 1/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
ALPG P10696 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DCTPP1 Q9H773 1/20 0.42

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
SCHEMBL22456033 0.86 KAT2B (0.61) MAPTKMT2AALDH1A1KAT2BHCAR3
SCHEMBL2470925 0.82 TSHR (0.49) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL19926298 0.81 HCAR3 (0.50) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL2777885 0.81 KMT2A (0.54) MAPTKMT2AALDH1A1KAT2BHPGD
SCHEMBL28188446 0.80 MAPT (0.46) MAPTKMT2AALDH1A1KAT2BCYP1A2
SCHEMBL2248120 0.80 MAPT (0.46) MAPTKMT2AALDH1A1KAT2BCYP1A2
SCHEMBL14159396 0.80 MAPT (0.46) MAPTKMT2AALDH1A1KAT2BCYP1A2
SCHEMBL14159375 0.80 KAT2B (0.65) MAPTKMT2AALDH1A1KAT2BLMNA
SCHEMBL10959235 0.80 TSHR (0.55) MAPTKMT2AALDH1A1KAT2BLMNA
SCHEMBL3921097 0.79 HCAR3 (0.48) MAPTKMT2AALDH1A1CYP1A2CYP2C9

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-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed