SCHEMBL4323918

SCHEMBL4323918

COc1cc(OC(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
SIRT6 Q8N6T7 1/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ALDH3A1 P30838 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHEK1 O14757 1/20 0.40

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
SCHEMBL17823329 0.88 LMNA (0.49) LMNAALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL30686627 0.83 ALDH1A1 (0.58) LMNAALDH1A1TDP1SIRT6HTT
SCHEMBL4142866 0.83 ALDH1A1 (0.58) LMNAALDH1A1TDP1SIRT6HTT
SCHEMBL10817393 0.82 ALDH1A1 (0.56) LMNAALDH1A1TDP1SIRT6HTT
SCHEMBL6826580 0.81 MAPT (0.52) LMNAALDH1A1HTTL3MBTL1ALDH3A1
SCHEMBL26087358 0.80 KMT2A (0.51) LMNAALDH1A1TDP1SIRT6L3MBTL1
SCHEMBL30977610 0.79 ATM (0.55) LMNAALDH1A1TDP1HTTALDH3A1
SCHEMBL11065023 0.79 MEN1 (0.46) LMNAALDH1A1HTTALDH3A1RAB9A
SCHEMBL10477079 0.79 ALDH1A1 (0.53) LMNAALDH1A1TDP1SIRT6HTT
SCHEMBL692339 0.79 ATM (0.55) LMNAALDH1A1TDP1HTTALDH3A1

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-2009144632-A1 NOVEL COMPOUNDS PFIZER LIMITED (GB) 2009-12-03 WO disclosed