SCHEMBL11211591

SCHEMBL11211591

CCCCOc1ccc(Oc2ccc(N)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LTA4H P09960 4/20 0.47
PLA2G4B P0C869 1/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
CA12 O43570 1/20 0.44

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
SCHEMBL9651479 0.91 MAPT (0.68) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11820880 0.89 MAPT (0.74) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL10430091 0.89 MAPT (0.65) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL16742372 0.87 MAPT (0.63) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL16516336 0.87 MAPT (0.63) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL1277976 0.85 MAPT (0.78) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11545117 0.84 MAPT (0.60) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11548169 0.84 MAPT (0.60) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL29776250 0.83 ALDH1A1 (0.62) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL866003 0.83 ALDH1A1 (0.62) MAPTKMT2AMEN1ALDH1A1LMNA

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-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US disclosed