SCHEMBL7958952

SCHEMBL7958952

CCOP(=O)(Cc1noc(-c2c(F)cccc2F)n1)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 3/20 0.39
SENP8 Q96LD8 3/20 0.39
SENP7 Q9BQF6 3/20 0.39
SENP6 Q9GZR1 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHRNA7 P36544 1/20 0.34
SMPD1 P17405 1/20 0.34
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7958949 0.87 NPC1 (0.38) NPC1RAB9ALMNACASP3SENP8
SCHEMBL10503546 0.81 NPC1 (0.54) NPC1RAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL10247598 0.81 RAB9A (0.46) NPC1RAB9ALMNACASP3L3MBTL1
SCHEMBL29915489 0.78 SMPD1 (0.48) NPC1RAB9AL3MBTL1ALDH1A1MAPT
SCHEMBL10247672 0.77 L3MBTL1 (0.51) NPC1RAB9ACASP3L3MBTL1ALDH1A1
SCHEMBL10250868 0.77 NPC1 (0.49) NPC1RAB9ALMNACASP3SENP8
SCHEMBL10247668 0.77 NPC1 (0.56) NPC1RAB9ALMNACASP3SENP8
SCHEMBL10247596 0.74 ALDH1A1 (0.47) NPC1RAB9AL3MBTL1ALDH1A1MAPT
SCHEMBL577888 0.72 TSHR (0.40) LMNAALDH1A1MAPTKDM4EPOLB
SCHEMBL7959543 0.70 NPC1 (0.53) NPC1RAB9ALMNACASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291492-B1 3-aryl alkenyl-1,2,4-oxadiazole derivatives and their use as parasiticides for animals BAYER AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed
EP-0740664-A1 3-ARYL ALKENYL-1,2,4-OXADIAZOLE DERIVATIVES AND THEIR USE AS PARASITICIDES FOR ANIMALS BAYER AG (DE) 1996-11-06 EP disclosed
WO-1995019354-A1 3-ARYL ALKENYL-1,2,4-OXADIAZOLE DERIVATIVES AND THEIR USE AS PARASITICIDES FOR ANIMALS BAYER AKTIENGESELLSCHAFT (DE) 1995-07-20 WO disclosed