SCHEMBL18403121

SCHEMBL18403121

CC(=O)c1cc2cc(/C=C/c3cccc([N+](=O)[O-])c3)cnc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
MCL1 Q07820 1/20 0.47
PTK2B Q14289 1/20 0.47
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
CYP19A1 P11511 1/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GLO1 Q04760 1/20 0.45
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
SNCA P37840 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL17313590 0.89 ABL1 (0.48) NFE2L2RAB9AMAPTMEN1KMT2A
SCHEMBL17313591 0.89 ABL1 (0.48) NFE2L2RAB9AMAPTMEN1KMT2A
SCHEMBL17313637 0.84 NPBWR1 (0.38) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL17420242 0.79 ABL1 (0.53) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL1773116 0.78 CYP1A2 (0.42) ALDH1A1GAATDP1
SCHEMBL18403125 0.77 MEN1 (0.55) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL17313624 0.74 ABL1 (0.46)
SCHEMBL15859944 0.74 ABL1 (0.46)
SCHEMBL17313583 0.74 ABL1 (0.48) MAPTLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL17313582 0.74 ABL1 (0.48) MAPTLMNAHTTALDH1A1SMN1; SMN2

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-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed