SCHEMBL9710635

SCHEMBL9710635

CCn1c(C#N)c(Cl)n(-c2ccc(Cl)cc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
POLB P06746 3/20 0.38
MAPT P10636 2/20 0.38
AR P10275 1/20 0.38
ELANE P08246 2/20 0.36
MAPK8 P45983 1/20 0.35
PGR P06401 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MGLL Q99685 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9710950 0.90 NPC1 (0.40) ALDH1A1KDM4EHPGDNPSR1RXFP1
SCHEMBL9711093 0.89 GSK3A (0.37) ALDH1A1KDM4EHPGDNPSR1RXFP1
SCHEMBL9710615 0.89 NPC1 (0.48) ALDH1A1KDM4EHPGDNPSR1RXFP1
SCHEMBL9710787 0.80 GSK3A (0.49) ALDH1A1KDM4EHPGDNPSR1RXFP1
SCHEMBL9710714 0.78 NPC1 (0.49) ALDH1A1KDM4EHPGDNPSR1RXFP1
SCHEMBL9710632 0.76 TDP2 (0.41) ALDH1A1KDM4EHPGDNPSR1RXFP1
SCHEMBL9710821 0.75 POLB (0.38) ALDH1A1KDM4EHPGDNPSR1RXFP1
SCHEMBL9710744 0.75 GSK3A (0.40) KDM4EHPGDNPSR1GSK3AGSK3B
SCHEMBL9710718 0.72 L3MBTL1 (0.35) ALDH1A1KDM4EHPGDNPSR1RXFP1
SCHEMBL9710822 0.72 GSK3A (0.50) ALDH1A1KDM4EHPGDNPSR1RXFP1

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