SCHEMBL3379912

SCHEMBL3379912

Cc1cc(Oc2ccccc2)n[c]n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.51
CYP2C19 P33261 4/20 0.51
MAPT P10636 3/20 0.51
CYP2C9 P11712 3/20 0.51
MAPK1 P28482 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 2/20 0.51
ATM Q13315 1/20 0.51
HTT P42858 1/20 0.50
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LTA4H P09960 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL3380725 0.74 BLM (0.49) CYP1A2CYP2C19MAPTCYP2C9MAPK1
SCHEMBL753276 0.72 SMN1; SMN2 (0.61) CYP1A2CYP2C19MAPTCYP2C9MAPK1
SCHEMBL17623918 0.72 MAPT (0.67) CYP1A2CYP2C19MAPTCYP2C9MAPK1
SCHEMBL896562 0.71
SCHEMBL558025 0.69 LTA4H (0.42) CYP1A2CYP2C19MAPTCYP2C9MAPK1
SCHEMBL23010902 0.69 MAPT (0.63) CYP1A2CYP2C19MAPTCYP2C9MAPK1
SCHEMBL446237 0.69 MAPT (0.63) CYP1A2CYP2C19MAPTCYP2C9MAPK1
SCHEMBL4528068 0.69 NPC1 (0.67) CYP1A2CYP2C19MAPTCYP2C9MAPK1
SCHEMBL2909035 0.68 L3MBTL1 (0.44) MAPTL3MBTL1MEN1KMT2AHPGD
SCHEMBL9479817 0.68 LTA4H (0.46) CYP1A2CYP2C19MAPTCYP2C9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1364946-B1 ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2010-11-24 EP disclosed
EP-2186410-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-05-19 EP disclosed
US-7238689-B2 Isoxazoline derivative and herbicide comprising the same as active ingredient IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-07-03 US disclosed