SCHEMBL11479210

SCHEMBL11479210

CCOC(C=O)=CN(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL11479204 1.00 CYP2C9 (0.44) CYP2C9ALDH1A1HSD17B10LMNAALOX15
SCHEMBL11340785 0.83 HCAR2 (0.35) CYP2C9ALDH1A1HCAR2
SCHEMBL11340786 0.83 HCAR2 (0.35) CYP2C9ALDH1A1HCAR2
SCHEMBL12888259 0.79 ATM (0.44) CYP2C9ALDH1A1LMNAMAPTHCAR2
SCHEMBL11832207 0.78 TSHR (0.34) CYP2C9TSHR
SCHEMBL11832200 0.78 TSHR (0.34) CYP2C9TSHR
SCHEMBL15286940 0.77 TSHR (0.32) CYP2C9TSHR
SCHEMBL9699761 0.77 NAAA (0.44) ALDH1A1LMNACA12CA1CA2
SCHEMBL8808642 0.77 NAAA (0.44) ALDH1A1LMNACA12CA1CA2
SCHEMBL6951554 0.77 NAAA (0.44) ALDH1A1LMNACA12CA1CA2

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-4239760-A Combating fungi and bacteria with 3-azolyl-benzo-1,2,4-triazines and 1-oxides thereof BAYER AKTIENGESELLSCHAFT (DE) 1980-12-16 US disclosed