SCHEMBL6922293

SCHEMBL6922293

CCOC(=O)c1c(N)c2c([N+](=O)[O-])cccc2n1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.41
CACNA1C Q13936 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
PKM P14618 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
LMNA P02545 3/20 0.38

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
SCHEMBL7249971 0.76 MAPT (0.49) MAPTALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL4728649 0.72 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL10567759 0.70 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL10474720 0.69 ALDH1A1 (0.53) MAPTALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL28461199 0.68 PABPC1 (0.45) MAPTALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL7204453 0.68 ALDH1A1 (0.60) MAPTALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL11329048 0.68 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL28474638 0.67 PDGFRA (0.44) MAPTALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL38652869 0.67 MAPT (0.44) MAPTALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL4337410 0.67 ALOX15 (0.47) MAPTALDH1A1KDM4EPKMLMNA

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-2004111052-A1 PYRROLOPYRIMIDINE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE (MDR) XENOVA LIMITED (GB) 2004-12-23 WO disclosed