SCHEMBL11469490

SCHEMBL11469490

CC1(C)ONC(=O)N1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
ELANE P08246 3/20 0.40
GRK5 P34947 1/20 0.38
TYRO3 Q06418 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MGLL Q99685 1/20 0.38
PGR P06401 1/20 0.38
MAOA P21397 1/20 0.37
MMP13 P45452 1/20 0.37
GAA P10253 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
DHFR P00374 1/20 0.35

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
SCHEMBL11468600 0.83 CACNA1B (0.49) CACNA1BAPBA1ELANEALDH1A1MGLL
SCHEMBL11469210 0.81 ELANE (0.50) ELANEALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11476355 0.81 FAAH (0.41) CACNA1BAPBA1ALDH1A1MGLLMMP13
SCHEMBL11466908 0.81 MEN1 (0.46) CYP1A2CYP2C9CYP2C19MGLLPGR
SCHEMBL11467078 0.77 MGLL (0.42) ELANEALDH1A1MGLLGAA
SCHEMBL11484163 0.74 DHFR (0.42) ALDH1A1CYP2C9CYP2C19GAADHFR
SCHEMBL1461676 0.69 AR (0.47) CACNA1BAPBA1ELANEALDH1A1CYP1A2
SCHEMBL19923441 0.65 GRM4 (0.57) CACNA1BAPBA1ELANEALDH1A1MGLL
SCHEMBL30393814 0.65 GRK5 (0.46) GRK5TYRO3DYRK1BALDH1A1MMP13
SCHEMBL6224475 0.65 MMP13 (0.40) ELANEALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4193922-A HERBICIDES, FUNGICIDES ESZAKMAGYARORSZAGI VEGYIMUVEK (HU) 1980-03-18 US claimed