SCHEMBL9191925

SCHEMBL9191925

CN(C)OC(=O)c1c(O)ccc2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
ERN1 O75460 1/20 0.47
MMP2 P08253 2/20 0.44
TSHR P16473 2/20 0.44
METAP2 P50579 2/20 0.44
METAP1 P53582 2/20 0.44
CHRM1 P11229 1/20 0.44
COMT P21964 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
EGLN1 Q9GZT9 7/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SLC40A1 Q9NP59 1/20 0.42
ALOX12 P18054 2/20 0.42
LMNA P02545 4/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 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
SCHEMBL31022701 0.80 CA12 (0.57) ALDH1A1ERN1MMP2TSHRMETAP2
SCHEMBL25235346 0.80 CA12 (0.57) ALDH1A1ERN1MMP2TSHRMETAP2
SCHEMBL31022679 0.79 ERN1 (0.54) ALDH1A1ERN1MMP2TSHRMETAP2
SCHEMBL31057838 0.77 ALDH1A1 (0.60) ALDH1A1ERN1MMP2TSHRMETAP2
SCHEMBL16040593 0.77 ALDH1A1 (0.60) ALDH1A1ERN1MMP2TSHRMETAP2
SCHEMBL9193765 0.76 NCEH1 (0.48) ALDH1A1ERN1KDM4EHPGDHSD17B10
SCHEMBL3435784 0.75 ERN1 (0.44) ALDH1A1ERN1MMP2TSHRMETAP2
SCHEMBL9316147 0.72 L3MBTL1 (0.45) ALDH1A1MMP2TSHRMETAP2METAP1
SCHEMBL4063648 0.70 MMP2 (0.63) ALDH1A1ERN1MMP2TSHRMETAP2
SCHEMBL9945612 0.69 LMNA (0.51) ALDH1A1MMP2TSHREGLN1KDM4E

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
EP-0662963-A1 NAPHTHOL DERIVATIVES, A METHOD FOR PRODUCING THE SAME AND THEIR USE AS HERBICIDES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-07-19 EP disclosed
WO-1994007868-A1 NAPHTHOL DERIVATIVES, A METHOD FOR PRODUCING THE SAME AND THEIR USE AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-04-14 WO disclosed