SCHEMBL18796192

SCHEMBL18796192

COc1ccc(Sc2ccc(C(N)=NO)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 6/20 0.50
GAA P10253 4/20 0.50
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GFER P55789 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
NPC1 O15118 5/20 0.46
MAPT P10636 3/20 0.46

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
SCHEMBL103227 0.89 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1RAB9AGAALMNA
SCHEMBL103228 0.89 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1RAB9AGAALMNA
SCHEMBL3052606 0.84 LMNA (0.65) SMN1; SMN2ALDH1A1RAB9AGAALMNA
SCHEMBL3052608 0.84 LMNA (0.65) SMN1; SMN2ALDH1A1RAB9AGAALMNA
SCHEMBL6129052 0.79 PARP10 (0.78) PTGIRALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL5788625 0.79 PTGIR (1.00) PTGIRPRSS1PRSS2PRSS3CA1
SCHEMBL13153891 0.78 ALDH1A1 (0.50) ALDH1A1RAB9AGAALMNAKMT2A
SCHEMBL21332333 0.78 ALDH1A1 (0.50) ALDH1A1RAB9AGAALMNAKMT2A
SCHEMBL482369 0.77 CA1 (0.65) PTGIRALDH1A1RAB9AGAAKMT2A
Hydrochloric Acid SCHEMBL11848856 0.74 CA1 (0.61) PTGIRALDH1A1RAB9AGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3367798-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2018-09-05 EP disclosed
WO-2017072247-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-05-04 WO disclosed