SCHEMBL27831756

SCHEMBL27831756

O=c1ccncn1Sc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 4/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ADORA3 P0DMS8 1/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
HIF1A Q16665 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
NOTUM Q6P988 1/20 0.31
FGFR1 P11362 1/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
CYP19A1 P11511 2/20 0.31
POLB P06746 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
SCHEMBL25277627 0.72
SCHEMBL27118318 0.72 MAPT (0.38) ALDH1A1SMN1; SMN2CYP2C19ADORA3HSD17B10
SCHEMBL29311484 0.72
SCHEMBL29053332 0.68 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL6973258 0.67 CYP3A4 (0.45) ALDH1A1CYP3A4MAPTCYP1A2CYP2D6
SCHEMBL9827675 0.67 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL29030316 0.66 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL27453621 0.63 KDM4C (0.55) ALDH1A1SMN1; SMN2CYP3A4MAPTCYP1A2
SCHEMBL715549 0.62 CYP3A4 (0.41) ALDH1A1SMN1; SMN2CYP3A4CYP2C9HTT
SCHEMBL1879818 0.60 HTT (0.48) SMN1; SMN2HSD17B10LMNAHTTFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104023535-A Use of pesticidal active 3-arylquinazolin-4-one derivatives in soil application methods BASF SE 2014-09-03 CN disclosed
CN-103987261-A Agricultural mixtures comprising arylquinazolinone compounds BASF SE 2014-08-13 CN disclosed
CN-103763922-A Pesticidal active mixtures comprising arylquinazolinone compounds BASF SE 2014-04-30 CN disclosed
CN-102341376-A 3-arylquinazolin-4-one compounds for controlling invertebrate pests BASF SE 2012-02-01 CN disclosed