SCHEMBL27208804

SCHEMBL27208804

CNC(=O)/C(=N/OC)c1cccc(Cl)c1CO/N=C(\COC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 4/20 0.35
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 2/20 0.34
PTGS2 P35354 1/20 0.33
LMNA P02545 2/20 0.33
FFAR1 O14842 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 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
SCHEMBL23972103 0.90 HIF1A (0.36) ALDH1A1L3MBTL1SMN1; SMN2HIF1AKMT2A
SCHEMBL27208787 0.90 HIF1A (0.44) ALDH1A1L3MBTL1HPGDSMN1; SMN2HIF1A
SCHEMBL30906649 0.83 KMT2A (0.34) ALDH1A1L3MBTL1SMN1; SMN2HIF1AKMT2A
SCHEMBL30906641 0.83 KMT2A (0.34) ALDH1A1L3MBTL1SMN1; SMN2HIF1AKMT2A
SCHEMBL30906648 0.83 KMT2A (0.34) ALDH1A1L3MBTL1SMN1; SMN2HIF1AKMT2A
SCHEMBL27208777 0.82 PPARG (0.35) ALDH1A1L3MBTL1HPGDSMN1; SMN2KMT2A
SCHEMBL30876169 0.82 HIF1A (0.39) ALDH1A1SMN1; SMN2HIF1AKMT2ACYP1A2
SCHEMBL23972111 0.81 KMT2A (0.37) ALDH1A1L3MBTL1SMN1; SMN2HIF1AKMT2A
SCHEMBL25598747 0.81 TAS1R3 (0.34) ALDH1A1HIF1AKMT2ACYP1A2CYP2D6
SCHEMBL30876174 0.79 ALDH1A1 (0.34) ALDH1A1L3MBTL1HPGDHIF1AKMT2A

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-4361126-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 XV BASF SE (DE) 2024-05-01 EP disclosed