SCHEMBL23969509

SCHEMBL23969509

CNC(=O)C(=N)c1cccc(C)c1CO/N=C(\C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.45
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARD Q03181 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL23972056 0.86 S1PR1 (0.44) S1PR1NPC1RAB9APPARGPPARA
SCHEMBL25667318 0.83 PPARG (0.42) NPC1RAB9APPARGPPARAMEN1
SCHEMBL23965712 0.80 NPC1 (0.33) NPC1RAB9APPARGPPARAKMT2A
SCHEMBL23972068 0.80 HIF1A (0.48) S1PR1NPC1RAB9APPARGPPARA
SCHEMBL23971687 0.79 HIF1A (0.43) S1PR1NPC1RAB9APPARGPPARA
SCHEMBL23971616 0.79 PPARG (0.46) S1PR1NPC1RAB9APPARGPPARA
SCHEMBL23971866 0.78 HIF1A (0.41) S1PR1NPC1RAB9APPARGPPARA
SCHEMBL23971900 0.76 NPC1 (0.36) S1PR1NPC1RAB9APPARGPPARA
SCHEMBL25551565 0.76 HIF1A (0.38) S1PR1NPC1RAB9APPARGPPARA
SCHEMBL23971868 0.76 HIF1A (0.38) S1PR1NPC1RAB9APPARGPPARA

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-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