SCHEMBL23977993

SCHEMBL23977993

COC(=O)C(=N)c1cccc(C)c1CO/N=C(\C)c1cccc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
KCNK3 O14649 4/20 0.39
KCNK9 Q9NPC2 4/20 0.39
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 3/20 0.36
PPARA Q07869 2/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL23969505 0.87 TSHR (0.35) HIF1ARAB9ANPC1KCNK3KCNK9
SCHEMBL23971878 0.86 HIF1A (0.54) HIF1ARAB9ANPC1KCNK3KCNK9
SCHEMBL25552201 0.85 HIF1A (0.39) HIF1ARAB9ANPC1KCNK3KCNK9
SCHEMBL23965638 0.81 HIF1A (0.39) HIF1ALMNASMN1; SMN2ALDH1A1
SCHEMBL23965681 0.81 KCNK3 (0.34) HIF1AKCNK3KCNK9LMNAGAA
SCHEMBL23971871 0.81 HIF1A (0.43) HIF1ARAB9ANPC1KCNK3KCNK9
SCHEMBL23971575 0.80 HIF1A (0.59) HIF1ARAB9ANPC1PPARGPPARA
SCHEMBL23971626 0.79 HIF1A (0.50) HIF1ARAB9ANPC1PPARGPPARA
SCHEMBL25667318 0.78 PPARG (0.42) RAB9ANPC1SMN1; SMN2PPARGPPARA
SCHEMBL23979194 0.78 HIF1A (0.54) HIF1ARAB9ANPC1PPARGPPARA

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-3903581-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 I BASF SE (DE) 2021-11-03 EP disclosed