SCHEMBL11368790

SCHEMBL11368790

O=c1c([N+](=O)[O-])c(O)c2cccnc2n1CC1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ELANE P08246 1/20 0.41
CNR2 P34972 7/20 0.40
CNR1 P21554 6/20 0.40
HTR3A P46098 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
POLB P06746 2/20 0.39
PTGER4 P35408 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
CTSB P07858 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 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
SCHEMBL11445270 0.81 KMT2A (0.65) KMT2AMEN1CNR2CNR1POLB
SCHEMBL4854349 0.80 MEN1 (0.68) KMT2AMEN1CNR2CNR1ALDH1A1
SCHEMBL11372040 0.80 KMT2A (0.46) KMT2AMEN1ELANEHTR3APOLB
SCHEMBL11367855 0.80 KMT2A (0.46) KMT2AMEN1HTR3APOLBALDH1A1
SCHEMBL7281836 0.79 PDE4A (0.54) KMT2AMEN1CNR2CNR1HTR3A
SCHEMBL11368589 0.77 CNR2 (0.56) KMT2AMEN1CNR2CNR1POLB
SCHEMBL30541541 0.76 FEN1 (0.50) KMT2AMEN1HTR3APOLBALDH1A1
SCHEMBL11371962 0.76 FEN1 (0.50) KMT2AMEN1HTR3APOLBALDH1A1
SCHEMBL11365341 0.75 FEN1 (0.49) KMT2AMEN1HTR3APOLBALDH1A1
SCHEMBL11365339 0.75 FEN1 (0.49) KMT2AMEN1HTR3APOLBALDH1A1

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-4264602-A ANTIALLERGENS SANDOZ, INC. (US) 1981-04-28 US disclosed