SCHEMBL9317047

SCHEMBL9317047

COC(=O)C(=CN(C)c1cccc(C#Cc2ccccc2)n1)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.42
GRM5 P41594 6/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL9318846 0.90 GRM5 (0.45) ACACBGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL9314752 0.81 ACACB (0.41) ACACBGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL9317149 0.78 CYP11B1 (0.34) ACACBGRM5MEN1KMT2A
SCHEMBL8768296 0.78 ACACB (0.41) ACACBGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL9313817 0.71 GRM5 (0.44) ACACBGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL3716091 0.69 GRM5 (0.53) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8768738 0.69 GRM5 (0.44) ACACBGRM5SMN1; SMN2KDM4EFFAR1
SCHEMBL1202115 0.63 GRM5 (0.56) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11761496 0.61 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL22939699 0.61 ALDH1A1 (0.49) GRM5NPC1RAB9ASMN1; SMN2KDM4E

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-0579908-A2 Pyridyl derivatives, process for their preparation and their use as pesticides BAYER AG (DE) 1994-01-26 EP disclosed