SCHEMBL7409786

SCHEMBL7409786

CC(=Cc1ccc(-n2ccnc2)cc1)[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MITF O75030 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CYP3A4 P08684 3/20 0.52
▸ BAZ2B Q9UIF8 1/20 0.52
▸ FBP1 P09467 2/20 0.50
▸ LMNA P02545 2/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ NTSR1 P30989 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ENPP2 Q13822 1/20 0.47
▸ MKNK1 Q9BUB5 1/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ MAOB P27338 3/20 0.47

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
SCHEMBL7409783 1.00 MAPT (0.53) MAPTMEN1KMT2AMITFALDH1A1
SCHEMBL8629749 0.84 IDO1 (0.49) MAPTMEN1KMT2AMITFALDH1A1
SCHEMBL8629745 0.84 IDO1 (0.49) MAPTMEN1KMT2AMITFALDH1A1
SCHEMBL11204355 0.81 FBP1 (0.62) MAPTMEN1KMT2AMITFALDH1A1
SCHEMBL10364657 0.77 CYP3A4 (0.40) MAPTMEN1KMT2AMITFALDH1A1
SCHEMBL10364656 0.77 CYP3A4 (0.40) MAPTMEN1KMT2AMITFALDH1A1
SCHEMBL10363574 0.76 FBP1 (0.38) MAPTMEN1KMT2AMITFALDH1A1
SCHEMBL10363576 0.76 FBP1 (0.38) MAPTMEN1KMT2AMITFALDH1A1
SCHEMBL12050306 0.75 FBP1 (0.67) MAPTMEN1KMT2AMITFALDH1A1
SCHEMBL4700604 0.75 FBP1 (0.67) MAPTMEN1KMT2AMITFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0102227-B1 2(1H)-PYRIDINONES, USEFUL AS CARDIOTONIC AGENTS, AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1989-05-03 — — EP disclosed
US-4607037-A Cardiotonic 2(1H)-pyridinones WARNER-LAMBERT COMPANY (US) 1986-08-19 — — US disclosed
US-4503061-A Substituted phenyl-pyridinones as cardiotonic agents WARNER-LAMBERT COMPANY (US) 1985-03-05 — — US disclosed
EP-0102227-A2 2(1H)-pyridinones, useful as cardiotonic agents, and their production WARNER-LAMBERT COMPANY (US) 1984-03-07 — — EP disclosed
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