SCHEMBL23965712

SCHEMBL23965712

CNC(=O)C(=N)c1cccc(C)c1CO/N=C(/c1ccccc1)C(F)F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PPARG P37231 7/20 0.33
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.31
PPARA Q07869 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KAT6A Q92794 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
F10 P00742 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
SCHEMBL23965627 0.89 HIF1A (0.34) NPC1RAB9APPARGMAPTKMT2A
SCHEMBL23971874 0.86 HIF1A (0.37) NPC1RAB9APPARGMAPTKMT2A
SCHEMBL23965633 0.83 SMN1; SMN2 (0.33) NPC1RAB9APPARGKMT2ASMN1; SMN2
SCHEMBL23971876 0.80 HIF1A (0.46) NPC1RAB9APPARGKMT2ASMN1; SMN2
SCHEMBL23969509 0.80 S1PR1 (0.45) NPC1RAB9APPARGKMT2ASMN1; SMN2
SCHEMBL23971593 0.79 RAB9A (0.35) NPC1RAB9APPARGKMT2ASMN1; SMN2
SCHEMBL23971622 0.78 ALDH1A1 (0.38) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL25551516 0.78 HIF1A (0.35) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL25598089 0.77 NPC1 (0.36) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL23971989 0.77 HIF1A (0.37) NPC1RAB9APPARGMAPTKMT2A

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-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