SCHEMBL9753801

SCHEMBL9753801

O=C(Cc1ncc(C(F)(F)F)cc1[N+](=O)[O-])OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
GLA P06280 1/20 0.45
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MITF O75030 2/20 0.42
HPGD P15428 1/20 0.42
MC4R P32245 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AGBL2 Q5U5Z8 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL8657646 0.80 ALDH1A1 (0.47) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL27717189 0.72 MAPT (0.48) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL17937195 0.71 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1MAPTMEN1
SCHEMBL2343365 0.71 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MAPTMEN1
SCHEMBL3818181 0.71 ALDH1A1 (0.67) ALDH1A1MAPK1L3MBTL1MAPTMEN1
SCHEMBL20126457 0.71 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1MAPTMEN1
SCHEMBL27752573 0.70 CYP3A4 (0.49) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL3929230 0.70 L3MBTL1 (0.44) ALDH1A1MAPK1L3MBTL1MAPTMEN1
SCHEMBL6310812 0.68 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1MAPTMEN1
SCHEMBL3295395 0.68 MGMT (0.51) ALDH1A1MAPTMEN1KMT2ASMN1; 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
WO-1991009598-A1 AZAOXINDOLE DERIVATIVES PFIZER INC. (US) 1991-07-11 WO disclosed