SCHEMBL7757989

SCHEMBL7757989

[CH2]Oc1ccn(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ELOVL1 Q9BW60 6/20 0.41
ABCB11 O95342 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 2/20 0.39
CASR P41180 1/20 0.37
PDE10A Q9Y233 1/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6971231 0.83 CYP2C9 (0.46) CYP2C9GAAMAPTHTTTSHR
SCHEMBL7923049 0.81 SIGMAR1 (0.49) MAPTL3MBTL1KDM4ELMNAALDH1A1
SCHEMBL5823369 0.80 ABCB11 (0.51) CYP2C9GAAMAPTHTTTSHR
SCHEMBL28013624 0.78 ABCB11 (0.43) CYP2C9GAAMAPTHTTTSHR
SCHEMBL13495377 0.76 GAA (0.42) CYP2C9GAAMAPTHTTTSHR
SCHEMBL27377814 0.76 CYP2C9 (0.44) CYP2C9GAAMAPTHTTTSHR
SCHEMBL7692506 0.76 CYP2C9 (0.44) CYP2C9GAAMAPTHTTTSHR
SCHEMBL28330107 0.76 CYP2C9 (0.40) CYP2C9GAAMAPTHTTTSHR
SCHEMBL28830073 0.73 TAAR1 (0.44) CYP2C9KDM4EPDE10A
SCHEMBL22386314 0.73 ALDH1A1 (0.45) GAAMAPTHTTTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021153754-A1 METHOD FOR CONTROLLING QOI FUNGICIDE-RESISTANT SOYBEAN RUST FUNGI 住友化学株式会社 2021-08-05 WO claimed
WO-2021153754-A1 METHOD FOR CONTROLLING QOI FUNGICIDE-RESISTANT SOYBEAN RUST FUNGI 住友化学株式会社 2021-08-05 WO disclosed
EP-0873305-B1 AZINOOXIMETHERS, PROCESSES AND INTERMEDIATE PRODUCTS FOR MANUFACTURING SAME, AND THE USES THEREOF IN COMBATING HARMFUL FUNGI AND PESTS BASF AG (DE) 2001-03-28 EP disclosed
US-6043282-A FUNGICIDES, PESTICIDES, INSECTICIDES, NEMATOCIDES, MITICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-03-28 US disclosed
EP-0873305-A1 AZINOOXIMETHERS, PROCESSES AND INTERMEDIATE PRODUCTS FOR MANUFACTURING SAME, AND THE USES THEREOF IN COMBATING HARMFUL FUNGI AND PESTS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
WO-1997018187-A1 AZINOOXIMETHERS, PROCESSES AND INTERMEDIATE PRODUCTS FOR MANUFACTURING SAME, AND THE USES THEREOF IN COMBATING HARMFUL FUNGI AND PESTS BASF AKTIENGESELLSCHAFT (DE) 1997-05-22 WO disclosed