SCHEMBL23967964

SCHEMBL23967964

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
LMNA P02545 1/20 0.30
CXCR5 P32302 1/20 0.30

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
SCHEMBL23965621 0.86 ALDH1A1 (0.38) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL30168064 0.80 GAA (0.36) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23965569 0.80 GAA (0.36) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23965620 0.79 HIF1A (0.45) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL30168077 0.79 HIF1A (0.45) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28917435 0.78 NPC1 (0.37) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL25224343 0.78 NPC1 (0.37) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL30214721 0.77 HIF1A (0.41) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23978034 0.76 PKM (0.40) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL30104137 0.76 HIF1A (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3903584-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 IV BASF SE (DE) 2021-11-03 EP disclosed
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