SCHEMBL9465377

SCHEMBL9465377

C1=CC(c2ccoc2)=N[N]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
ERN1 O75460 1/20 0.33
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
ADORA2A P29274 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL1772039 0.69 LPL (0.54) LPLLIPGERN1ALDH1A1LMNA
SCHEMBL7191487 0.68 LPL (0.46) LPLLIPGERN1ALDH1A1LMNA
SCHEMBL2764416 0.67 TDP1 (0.38) ALDH1A1LMNAKDM4EHPGD
SCHEMBL21670474 0.62 CYP1A2 (0.42) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL1889879 0.62 ALDH1A1 (0.45) ALDH1A1LMNACYP1A2CYP2C19ADORA2A
SCHEMBL9465257 0.62 CYP2A6 (0.41) LPLLIPGERN1CYP3A4CYP2C19
SCHEMBL5918762 0.61 ERN1 (0.32) ERN1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL1435891 0.61 CYP2A6 (0.54) ALDH1A1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL5781692 0.61 CTRC (0.48) LPLLIPGERN1ALDH1A1LMNA
SCHEMBL25392864 0.60 RAB9A (0.42) ALDH1A1HPGDHSD17B10

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
CN-115087646-A Production of aromatic carbonyl compounds by catalytic oxidation with molecular oxygen 巴斯夫欧洲公司 2022-09-20 CN disclosed
CN-111683933-A Novel pyridine carboxamides 巴斯夫欧洲公司 2020-09-18 CN disclosed
US-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed