SCHEMBL29217375

SCHEMBL29217375

O=C(Nc1ccc(F)c(F)c1)c1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 0.72
HDAC6 Q9UBN7 1/20 0.66
CES1 P23141 1/20 0.63
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
KDR P35968 3/20 0.62
KCNK3 O14649 1/20 0.60
KCNK9 Q9NPC2 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 1/20 0.59
PKM P14618 1/20 0.58

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
SCHEMBL28871772 0.87 GRM4 (0.56) GRM4HDAC6CES1NPC1RAB9A
SCHEMBL1657179 0.87 GRM4 (0.66) GRM4HDAC6NPC1RAB9AKDR
SCHEMBL10463368 0.85 GRM4 (0.66) GRM4HDAC6NPC1RAB9AKDR
SCHEMBL2534147 0.83 GRM4 (1.00) GRM4HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL16592704 0.83 GRM4 (0.81) GRM4HDAC6NPC1RAB9AKDR
SCHEMBL10463376 0.83 GRM4 (0.63) GRM4HDAC6NPC1RAB9AKDR
SCHEMBL10558445 0.83 MAPT (0.64) GRM4HDAC6CES1NPC1RAB9A
SCHEMBL14773186 0.83 SMN1; SMN2 (0.57) GRM4HDAC6SMN1; SMN2
SCHEMBL1455190 0.82 LMNA (0.62) GRM4HDAC6KDRSMN1; SMN2
SCHEMBL1657250 0.82 GRM4 (0.67) GRM4HDAC6NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108978-B Pyridine formylhydrazine plant antifungal medicine 西北农林科技大学 2024-05-24 CN disclosed