SCHEMBL7437748

SCHEMBL7437748

O=C(c1ccncc1)c1c[nH]c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LTA4H P09960 1/20 0.43
LMNA P02545 1/20 0.43
NAPRT Q6XQN6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MPO P05164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C19 P33261 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
SCHEMBL7487387 0.81 ALDH1A1 (0.48) KMT2AMEN1L3MBTL1ALDH1A1CYP1A2
SCHEMBL9787075 0.81 HDAC8 (0.47) PDE3BPDE3AKMT2AMEN1LTA4H
SCHEMBL10924690 0.79 HTT (0.39) KMT2AMEN1LMNAKDM4ECYP1A2
SCHEMBL11180544 0.75 NPSR1 (0.49) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL7431391 0.75 CYP1A2 (0.46) PDE3BPDE3ALMNAKDM4ECYP1A2
SCHEMBL10921114 0.73 SRD5A2 (0.51) LMNAL3MBTL1ALDH1A1GAA
SCHEMBL7438275 0.73 CCND3 (0.44) KMT2AMEN1NAPRTCYP1A2CYP2D6
SCHEMBL10923514 0.72 IGFBP3 (0.47) L3MBTL1KDM4EGAA
SCHEMBL29360098 0.72 IGFBP3 (0.47) L3MBTL1KDM4EGAA
SCHEMBL7431399 0.72 PDE3B (0.39) PDE3BPDE3AKMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0059948-B1 NOVEL AROYLIMIDAZOLONES MERRELL DOW PHARMACEUTICALS INC. (US) 1985-11-13 EP claimed
US-4405628-A 4-Pyridylimidazolones and method of use MERRELL DOW PHARMACEUTICALS INC. (US) 1983-09-20 US claimed
EP-0059948-A1 Novel aroylimidazolones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-09-15 EP claimed
EP-0059948-B1 NOVEL AROYLIMIDAZOLONES MERRELL DOW PHARMACEUTICALS INC. (US) 1985-11-13 EP disclosed
US-4405628-A 4-Pyridylimidazolones and method of use MERRELL DOW PHARMACEUTICALS INC. (US) 1983-09-20 US disclosed
EP-0059948-A1 Novel aroylimidazolones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-09-15 EP disclosed