SCHEMBL9710972

SCHEMBL9710972

CCOC(=O)c1c(C#N)n(C)c(=O)n1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 7/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 7/20 0.44
HPGD P15428 3/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 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
SCHEMBL9710822 0.76 GSK3A (0.50) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL9710787 0.75 GSK3A (0.49) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL15004863 0.75 ALDH1A1 (0.71) MAPK1ALDH1A1MAPTGAAKDM4E
SCHEMBL4520363 0.75 ALDH1A1 (0.53) MAPK1ALDH1A1MAPTGAAKDM4E
SCHEMBL9710738 0.74 GSK3A (0.44) ALDH1A1GAAKDM4EHPGDNPSR1
SCHEMBL9710800 0.72 GSK3A (0.50) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL9710669 0.72 GSK3A (0.46) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL28373158 0.72 ALDH1A1 (0.55) MAPK1ALDH1A1MAPTGAAKDM4E
SCHEMBL6403718 0.71 ALDH1A1 (0.55) MAPK1ALDH1A1MAPTGAAKDM4E
SCHEMBL28800159 0.69 KMT2A (0.56) MAPK1ALDH1A1MAPTGAAKDM4E

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
WO-1992021662-A1 POSSIBLY CONDENSED PHENYLIMIDAZOLONES AND PYRIMIDINONES AS HERBICIDES; INTERMEDIATES DOWELANCO (US) 1992-12-10 WO disclosed
US-5153316-A Post and preemergence herbicides DOWELANCO 1992-10-06 US disclosed