SCHEMBL9710744

SCHEMBL9710744

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
AR P10275 1/20 0.38
TSHR P16473 2/20 0.37
MAPK8 P45983 1/20 0.36
PGR P06401 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
ELANE P08246 1/20 0.35
XDH P47989 1/20 0.35
ADORA2A P29274 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP2 O95551 1/20 0.32

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
SCHEMBL9711093 0.87 GSK3A (0.37) GSK3AGSK3BARTSHRMAPK8
SCHEMBL9710950 0.85 NPC1 (0.40) GSK3AGSK3BARMAPK8PGR
SCHEMBL9710635 0.75 ALDH1A1 (0.40) GSK3AGSK3BARMAPK8PGR
SCHEMBL9710714 0.74 NPC1 (0.49) GSK3AGSK3BPGRELANEADORA2A
SCHEMBL9710821 0.70 POLB (0.38) GSK3AGSK3BMGLLKDM4EGAA
SCHEMBL9710690 0.68 ELANE (0.41) GSK3AGSK3BPGRELANEKDM4E
SCHEMBL9710842 0.67 RGS4 (0.50) ARMAPK8PGRKDM4ELMNA
SCHEMBL9710622 0.65 GSK3A (0.49) GSK3AGSK3BMGLLELANEKDM4E
SCHEMBL9710615 0.64 NPC1 (0.48) GSK3AGSK3BPGRELANEADORA2A
SCHEMBL19693890 0.64 GSK3A (0.46) GSK3AGSK3BTSHRFAAHMGLL

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