SCHEMBL23969505

SCHEMBL23969505

COC(=O)C(=N)c1cccc(C)c1CO/N=C(\C)c1cc(C)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ABCB1 P08183 1/20 0.33
GAA P10253 1/20 0.33
HIF1A Q16665 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
KCNK3 O14649 1/20 0.32
POLB P06746 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL23977993 0.87 HIF1A (0.41) SMN1; SMN2ALDH1A1MAPTGAAHIF1A
SCHEMBL23971676 0.86 HIF1A (0.45) SMN1; SMN2HPGDALDH1A1MAPTGAA
SCHEMBL23965681 0.83 KCNK3 (0.34) HPGDGAAHIF1AKMT2AMEN1
SCHEMBL23965638 0.83 HIF1A (0.39) SMN1; SMN2HPGDALDH1A1HIF1APOLB
SCHEMBL23971865 0.81 HIF1A (0.35) TSHRCYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL23972055 0.78 HIF1A (0.48) HIF1AKMT2AMEN1RAB9ANPC1
SCHEMBL25600861 0.78 HIF1A (0.43) SMN1; SMN2HPGDALDH1A1MAPTHIF1A
SCHEMBL25598281 0.76 HIF1A (0.46) CYP2D6CYP2C19SMN1; SMN2ALDH1A1MAPT
SCHEMBL25599202 0.76 HIF1A (0.43) SMN1; SMN2MAPTHIF1ARAB9ANPC1
SCHEMBL25601892 0.76 HIF1A (0.45) SMN1; SMN2HPGDALDH1A1MAPTHIF1A

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
EP-3903582-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS II BASF SE (DE) 2021-11-03 EP disclosed