SCHEMBL4219980

SCHEMBL4219980

CNc1c(N=O)c2ccccn2c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.38
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 6/20 0.36
LMNA P02545 6/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
IDO1 P14902 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL2972073 0.81 MAPK1 (0.48) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL4230064 0.81 KMT2A (0.40) HTTKMT2AMAPTSMN1; SMN2FNTA
SCHEMBL4225404 0.80 HTT (0.47) HTTMEN1KMT2AMAPTLMNA
SCHEMBL4230170 0.77 HTT (0.38) HTTMEN1KMT2AMAPTLMNA
SCHEMBL4225555 0.75 HTT (0.40) HTTMEN1KMT2AMAPTLMNA
SCHEMBL2982074 0.71 ALDH1A1 (0.49) HTTMEN1KMT2AMAPTLMNA
SCHEMBL27305848 0.70 ALDH1A1 (0.41) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL13203248 0.67 DAPK3 (0.51) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL13203355 0.66 LMNA (0.43) HTTMEN1KMT2AMAPTLMNA
SCHEMBL4221626 0.66 HTT (0.48) HTTMEN1KMT2AALDH1A1GAA

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
EP-2093226-A1 New aminoindolizines, tinctorial composition comprising an aminoindolizine, methods and uses L'Oreal (FR) 2009-08-26 EP disclosed