SCHEMBL11249414

SCHEMBL11249414

Cc1ncccc1-c1c[nH]c(=O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
PAX8 Q06710 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDO2 P48775 3/20 0.39
MET P08581 1/20 0.38
VHL P40337 1/20 0.37
ERN1 O75460 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL11448667 0.78 AURKB (0.56) KDM4EPRMT5WDR77MAPTALDH1A1
SCHEMBL11453577 0.77 KDM4E (0.46) KDM4EPRMT5WDR77MAPTALDH1A1
SCHEMBL11235175 0.75 PTGS1 (0.45) KDM4EPAX8MAPTALDH1A1MEN1
SCHEMBL11458186 0.75 MCL1 (0.56) KDM4EPRMT5WDR77ALDH1A1MKNK1
SCHEMBL11456663 0.75 DHODH (0.50) KDM4EPRMT5WDR77MAPTALDH1A1
SCHEMBL11450515 0.74 AURKA (0.61) KDM4EALDH1A1L3MBTL1RAB9ALMNA
SCHEMBL11448108 0.74 MKNK1 (0.55) PRMT5WDR77MKNK1MKNK2TDO2
SCHEMBL4973565 0.73 TRPV1 (0.51) KDM4E
SCHEMBL11227729 0.73 TTK (0.57) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL11239434 0.72 CCNC (0.55) KDM4EMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4351941-A Pyridinyl-pyridines STERLING DRUG INC. (US) 1982-09-28 US disclosed
US-4331672-A 5-(Pyridinyl)pyridine-2-hydrazines, their preparation and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 US disclosed
US-4225715-A Preparation of 3-amino(or carbamyl)-5-(pyridinyl)-2(1H)-pyridinones STERLING DRUG INC. (US) 1980-09-30 US disclosed
US-4199586-A Di-(lower-alkyl) N-[1,2-dihydro-2-oxo-5-(pyridinyl)-3-pyridinyl]amino-methylanemalonates STERLING DRUG INC. (US) 1980-04-22 US disclosed
US-4137233-A 1,2-Dihydro-2-oxo-5-(pyridinyl)nicotinamides STERLING DRUG INC. (US) 1979-01-30 US disclosed
US-4107315-A 5-(Pyridinyl)-2(1H)-pyridinones STERLING DRUG INC. (US) 1978-08-15 US disclosed
US-4072746-A CARDIOTONIC AGENTS STERLING DRUG INC. (US) 1978-02-07 US disclosed
US-4004012-A 3-Cyano-5-(pyridinyl)-2(1H)-pyridinones STERLING DRUG INC. (US) 1977-01-18 US disclosed