SCHEMBL23978034

SCHEMBL23978034

C=C(C(=O)OC)c1cccc(C)c1CO/N=C(\C)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KAT6A Q92794 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL23965620 0.86 HIF1A (0.45) PKMNPC1RAB9ASMN1; SMN2KAT6A
SCHEMBL30168077 0.86 HIF1A (0.45) PKMNPC1RAB9ASMN1; SMN2KAT6A
SCHEMBL23983965 0.86 PKM (0.39) PKMNPC1RAB9ASMN1; SMN2KAT6A
SCHEMBL23965621 0.84 ALDH1A1 (0.38) PKMNPC1RAB9ASMN1; SMN2KAT6A
SCHEMBL30214721 0.81 HIF1A (0.41) PKMNPC1RAB9ASMN1; SMN2KAT6A
SCHEMBL28917435 0.80 NPC1 (0.37) PKMNPC1RAB9ASMN1; SMN2KAT6A
SCHEMBL25224343 0.80 NPC1 (0.37) PKMNPC1RAB9ASMN1; SMN2KAT6A
SCHEMBL30168064 0.80 GAA (0.36) PKMNPC1RAB9ASMN1; SMN2KAT6A
SCHEMBL23965569 0.80 GAA (0.36) PKMNPC1RAB9ASMN1; SMN2KAT6A
SCHEMBL30104137 0.80 HIF1A (0.38) PKMNPC1RAB9ASMN1; SMN2ALDH1A1

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