SCHEMBL21241500

SCHEMBL21241500

COc1cc(C(F)(F)F)nnc1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.45
ADORA1 P30542 2/20 0.45
MAPT P10636 6/20 0.41
KDM4E B2RXH2 8/20 0.41
KMT2A Q03164 7/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 4/20 0.41
ALOX12 P18054 3/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 4/20 0.40
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
NTSR1 P30989 4/20 0.39
GPR55 Q9Y2T6 1/20 0.39
PDE10A Q9Y233 1/20 0.39
TLR9 Q9NR96 2/20 0.38
POLB P06746 2/20 0.38

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
SCHEMBL21240997 0.86 HSD17B10 (0.48) ADORA2AADORA1MAPTKDM4EALDH1A1
SCHEMBL22598458 0.82 KIF11 (0.41) KDM4ELMNA
SCHEMBL21241506 0.82 PDE10A (0.43) MAPTKMT2ALMNAHTTHPGD
SCHEMBL21241175 0.77 PDE4B (0.43) ADORA2AADORA1MAPTKMT2ALMNA
SCHEMBL21241363 0.76 ADORA2A (0.45) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL21241177 0.75 S1PR1 (0.37) PDE10A
SCHEMBL21241358 0.74 PDE10A (0.39) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL21241508 0.71 PDE10A (0.35) MAPTKDM4EKMT2AALDH1A1LMNA
SCHEMBL21241365 0.70 ADORA2A (0.43) ADORA2AADORA1ALDH1A1LMNA
SCHEMBL23664426 0.69 PDE10A (0.35) MAPTKDM4EKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed