SCHEMBL9856320

SCHEMBL9856320

CCOC(=O)NCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
GAA P10253 2/20 0.57
LMNA P02545 2/20 0.57
MGLL Q99685 2/20 0.56
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.53
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
KCNH2 Q12809 1/20 0.52
HRH2 P25021 1/20 0.51
HRH1 P35367 1/20 0.51
NPC1 O15118 1/20 0.50

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
SCHEMBL7094774 0.84 DRD2 (0.62) MAPTCRHBPCRHR2L3MBTL1GAA
SCHEMBL11886540 0.83 NPC1 (0.65) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL5402398 0.83 CA12 (0.65) MAPTGAALMNAMGLLALDH1A1
SCHEMBL9856035 0.81 L3MBTL1 (0.59) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL9190987 0.81 KMT2A (0.63) MAPTLMNAMGLLALDH1A1KMT2A
SCHEMBL872557 0.81 MGLL (0.47) MAPTCRHBPCRHR2L3MBTL1GAA
SCHEMBL9856606 0.80 L3MBTL1 (0.54) MAPTL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL16245558 0.80 DRD2 (0.65) MAPTCRHBPCRHR2L3MBTL1GAA
SCHEMBL8603693 0.80 MTNR1A (0.66) MAPTL3MBTL1NPC1
SCHEMBL7558277 0.80 ALDH1A1 (0.60) MAPTCRHBPCRHR2L3MBTL1GAA

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
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed