SCHEMBL11554266

SCHEMBL11554266

O=[N+]([O-])c1cccnc1Nc1cc(F)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MAPT P10636 7/20 0.49
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
SLC40A1 Q9NP59 1/20 0.44
MAPK1 P28482 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PKM P14618 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
IDO1 P14902 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
SCHEMBL11847493 0.89 MEN1 (0.57) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL11551932 0.85 MEN1 (0.65) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL11902017 0.84 L3MBTL1 (0.48) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL3262977 0.82 MEN1 (0.53) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL15953535 0.82 MEN1 (0.52) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL6796833 0.81 MEN1 (0.52) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL29241859 0.80 MAPT (0.68) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL6799629 0.80 MAPT (0.56) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL2503337 0.79 MAPT (0.59) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL4064354 0.79 EPAS1 (0.59) MEN1KMT2AL3MBTL1MAPTNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4144341-A ANTIPYRETICS, ANALGESICS AND ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1979-03-13 US disclosed
US-4000286-A ANALGESICS, ANTIINFLAMMATORY AND ANTIPYRETIC AGENTS MERCK & CO., INC. (US) 1976-12-28 US disclosed