SCHEMBL23967899

SCHEMBL23967899

CCC/C=C(\C(=N)OC)c1ccccc1CO/N=C(\C)c1ccccc1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL23978025 0.80 ALDH1A1 (0.37) ALDH1A1KMT2ALMNAKDM4ENPC1
SCHEMBL23965671 0.74 HIF1A (0.44) KMT2ALMNANPC1SMN1; SMN2RAB9A
SCHEMBL23969523 0.73 HPGD (0.37) KMT2ALMNANPC1RAB9A
SCHEMBL23969511 0.71 S1PR1 (0.40) ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL23971813 0.70 HIF1A (0.56) ALDH1A1KMT2ALMNAKDM4ENPC1
SCHEMBL23969485 0.68 HIF1A (0.46) NPC1SMN1; SMN2RAB9A
SCHEMBL12779054 0.64 ALDH1A1 (0.40) ALDH1A1LMNAKDM4ENPC1
SCHEMBL23984127 0.64 ALDH1A1 (0.32) ALDH1A1KMT2ALMNAKDM4ENPC1
SCHEMBL6815533 0.64 SMN1; SMN2 (0.46) ALDH1A1KMT2ALMNAKDM4ENPC1
SCHEMBL23965621 0.63 ALDH1A1 (0.38) ALDH1A1KMT2ALMNANPC1SMN1; 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