SCHEMBL11368589

SCHEMBL11368589

O=c1c([N+](=O)[O-])c(O)c2cccnc2n1Cc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.56
TP53 P04637 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CNR1 P21554 3/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
KAT2B Q92831 1/20 0.45
POLB P06746 1/20 0.43
THRB P10828 1/20 0.42
PDE4A P27815 1/20 0.42

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
SCHEMBL4854349 0.90 MEN1 (0.68) CNR2TP53MEN1KMT2ACNR1
SCHEMBL11445217 0.81 KMT2A (0.81) TP53MEN1KMT2AMAPTLMNA
SCHEMBL11372040 0.78 KMT2A (0.46) MEN1KMT2AMAPTLMNAPTGDR2
SCHEMBL11367855 0.78 KMT2A (0.46) MEN1KMT2AMAPTLMNAPTGDR2
SCHEMBL7281836 0.77 PDE4A (0.54) CNR2MEN1KMT2ACNR1MAPT
SCHEMBL11368790 0.77 KMT2A (0.46) CNR2MEN1KMT2ACNR1MAPT
SCHEMBL4851951 0.77 HSPD1 (0.67) CNR2TP53MEN1KMT2ACNR1
SCHEMBL13295323 0.75 MEN1 (0.60) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL24937554 0.74 CNR2 (0.70) CNR2TP53MEN1KMT2ACNR1
SCHEMBL24002746 0.74 CNR2 (0.65) CNR2TP53MEN1KMT2ACNR1

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