SCHEMBL23965626

SCHEMBL23965626

CCc1ccc(C(C)=N)cc1CC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HSD17B1 P14061 1/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
PDK1 Q15118 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 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
SCHEMBL26493365 0.90 PKM (0.46) HSP90AA1HSP90AB1HSD17B1HTTALDH1A1
SCHEMBL23965578 0.83 PRSS1 (0.39) HSP90AA1HSP90AB1HSD17B1HTTALDH1A1
SCHEMBL21991134 0.83 HSD17B1 (0.40) HSP90AA1HSP90AB1HSD17B1HTTALDH1A1
SCHEMBL16959031 0.82 HSP90AA1 (0.40) HSP90AA1HSP90AB1HSD17B1HTTALDH1A1
SCHEMBL3279437 0.80 PKM (0.57) HSP90AA1HSP90AB1HSD17B1HTTALDH1A1
SCHEMBL23967939 0.79 KIF11 (0.41)
SCHEMBL1362391 0.78 HSP90AA1 (0.38) HSP90AA1HSP90AB1HSD17B1HTTALDH1A1
SCHEMBL10914230 0.77 SMN1; SMN2 (0.44) HSP90AA1HSP90AB1HSD17B1HTTALDH1A1
SCHEMBL16954714 0.77 PKM (0.40) HSP90AA1HSP90AB1HSD17B1HTTALDH1A1
SCHEMBL10604412 0.76 PTGS1 (0.38) ALDH1A1HPGDPKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3903583-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 III BASF SE (DE) 2021-11-03 EP disclosed
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
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