SCHEMBL11363371

SCHEMBL11363371

S=C=NCC1CC(c2ccc(Br)cc2)=NO1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MIF P14174 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL11366430 0.86 NPC1 (0.53) LMNASMN1; SMN2ALDH1A1HPGDMIF
SCHEMBL11378055 0.86 APAF1 (0.47) SMN1; SMN2MIF
SCHEMBL11375518 0.86 MIF (0.42) MIF
SCHEMBL11372587 0.86 MIF (0.45) MIF
SCHEMBL11365099 0.85 LMNA (0.44) LMNASMN1; SMN2ALDH1A1
SCHEMBL11374692 0.82 MIF (0.43) MIF
SCHEMBL11367968 0.82 MIF (0.60) SMN1; SMN2MAPTMIF
SCHEMBL11371843 0.82 HTT (0.45) MIF
SCHEMBL11379586 0.80 MAPT (0.56) LMNASMN1; SMN2ALDH1A1MAPTMIF
SCHEMBL14183676 0.79 LMNA (0.44) LMNASMN1; SMN2ALDH1A1HPGDMAPT

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
US-4283403-A Substituted isoxazolines for control of plant phytopathogens ELI LILLY AND COMPANY (US) 1981-08-11 — — US disclosed
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