SCHEMBL2789494

SCHEMBL2789494

O=C(Cl)c1ccccc1N1C=CON1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 2/20 0.42
P2RX4 Q99571 1/20 0.34
NR4A1 P22736 2/20 0.30
MYC P01106 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
SCHEMBL2487391 0.85 ALDH1A1 (0.47) ALDH1A1ALOX15NR4A1MYC
SCHEMBL21801994 0.77
SCHEMBL7680902 0.73 BCAT2 (0.40)
SCHEMBL7678448 0.70 HPGD (0.47) ALDH1A1
SCHEMBL2578681 0.70 LMNA (0.40) ALDH1A1
SCHEMBL22396430 0.68 ALDH1A1 (0.38) ALDH1A1ALOX15NR4A1MYC
SCHEMBL22396471 0.68 MYC (0.50) ALDH1A1ALOX15MYC
SCHEMBL2503021 0.68 TSHR (0.45) ALDH1A1ALOX15NR4A1
SCHEMBL1080712 0.68 CA2 (0.45)
SCHEMBL30196611 0.68 ALDH1A1 (0.42) ALDH1A1ALOX15P2RX4NR4A1MYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3430009-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2019-01-23 EP disclosed
WO-2017157962-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-09-21 WO disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed