SCHEMBL7978033

SCHEMBL7978033

COc1c(O)c2ccc([N+](=O)[O-])cc2n(Cc2ccco2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.47
ALDH1A1 P00352 9/20 0.44
PKM P14618 3/20 0.44
LMNA P02545 5/20 0.43
MAPT P10636 6/20 0.42
NOX4 Q9NPH5 3/20 0.42
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PLIN1 O60240 1/20 0.41
HTT P42858 1/20 0.41
PLIN5 Q00G26 1/20 0.41
ABHD5 Q8WTS1 1/20 0.41
SRC P12931 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CASP6 P55212 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
SCHEMBL6579909 0.82 CYP1A2 (0.51) CFTRLMNAMAPTNOX4KMT2A
SCHEMBL7975939 0.81 LMNA (0.37) ALDH1A1PKMLMNAMAPTKMT2A
SCHEMBL6582308 0.80 MAPT (0.47) ALDH1A1LMNAMAPTNOX4KMT2A
SCHEMBL8004065 0.78 KDM4E (0.44) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL7989452 0.76 MAPT (0.49) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL7998971 0.76 MAPT (0.49) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL7988582 0.76 ALDH1A1 (0.45) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL7999053 0.73 CYP1A2 (0.51) CFTRPKMLMNAMAPTNOX4
SCHEMBL6579512 0.71 TOP1 (0.40) ALDH1A1LMNAMAPTHTT
SCHEMBL6579521 0.71 TOP1 (0.40) ALDH1A1LMNAMAPTHTT

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
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed