SCHEMBL3840073

SCHEMBL3840073

N#Cc1ccc(N(C(=O)O)c2ncccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC22A12 Q96S37 1/20 0.40
SNCA P37840 1/20 0.38
SLC6A7 Q99884 1/20 0.38
POLB P06746 1/20 0.38
ELANE P08246 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
CTBP2 P56545 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
MMP2 P08253 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
SCHEMBL14698064 0.82 KMT2A (0.54) MEN1NPC1KMT2ASNCAPOLB
SCHEMBL16667889 0.73 KMT2A (0.43) MEN1NPC1KMT2ASNCAALDH1A1
SCHEMBL31393776 0.71 KMT2A (0.57) MEN1NPC1KMT2ASNCACA1
SCHEMBL29368910 0.71 CA2 (0.45) MEN1NPC1KMT2ASNCACA1
SCHEMBL9550491 0.71 PARP15 (0.46) MEN1NPC1KMT2ACA1CA2
SCHEMBL1705319 0.71 CA2 (0.45) CA1CA2ALDH1A1MAPTMMP2
SCHEMBL1925493 0.70 NPC1 (0.73) MEN1NPC1KMT2ASNCAPOLB
SCHEMBL2112731 0.69 KMT2A (0.63) MEN1NPC1KMT2ASNCACA1
SCHEMBL7341997 0.69 NPC1 (0.71) MEN1NPC1KMT2ASNCAPOLB
SCHEMBL1081803 0.69 NPSR1 (0.41) MEN1NPC1KMT2APOLBHTT

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
EP-2220091-A2 REVERSE TRANSCRIPTASE INHIBITORS Ardea Biosciences, Inc. (US) 2010-08-25 EP disclosed
WO-2009079412-A2 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC. (US) 2009-06-25 WO disclosed