SCHEMBL11453080

SCHEMBL11453080

O=c1c([N+](=O)[O-])c(O)c2ccccc2n1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
PKM P14618 1/20 0.65
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
ALDH1A1 P00352 6/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 2/20 0.53
CYP1A2 P05177 1/20 0.53
GLA P06280 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
S100A4 P26447 1/20 0.50
RECQL P46063 1/20 0.49
HTT P42858 1/20 0.48
MAPK1 P28482 1/20 0.46
GRIN2D O15399 1/20 0.46

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
SCHEMBL11453205 0.89 KMT2A (0.53) LMNAPKMKMT2AMEN1ALDH1A1
SCHEMBL27388968 0.84 MEN1 (0.51) LMNAPKMKMT2AMEN1ALDH1A1
SCHEMBL30611321 0.84 HTT (0.51) LMNAPKMKMT2AMEN1ALDH1A1
SCHEMBL30611262 0.84 MEN1 (0.51) LMNAPKMKMT2AMEN1ALDH1A1
SCHEMBL29110311 0.84 HTT (0.51) LMNAPKMKMT2AMEN1ALDH1A1
SCHEMBL30611302 0.81 HTT (0.48) LMNAPKMKMT2AMEN1ALDH1A1
SCHEMBL29110384 0.81 HTT (0.48) LMNAPKMKMT2AMEN1ALDH1A1
SCHEMBL7279582 0.80 FEN1 (0.53) LMNAPKMKMT2AMEN1ALDH1A1
SCHEMBL6579776 0.79 KMT2A (0.71) LMNAPKMKMT2AMEN1ALDH1A1
SCHEMBL30099697 0.79 MAPT (0.68) LMNAKMT2AMEN1ALDH1A1NPSR1

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-4192876-A ANTIALLERGENS SANDOZ, INC. (US) 1980-03-11 US disclosed