SCHEMBL10162217

SCHEMBL10162217

O=C(O)Cn1cc(-c2ncno2)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.43
PDK2 Q15119 4/20 0.39
SYK P43405 1/20 0.36
S1PR1 P21453 1/20 0.35
MET P08581 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PDE10A Q9Y233 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL25433566 0.71 L3MBTL1 (0.59) PDK2S1PR1CYP4F2CYP4A11
SCHEMBL11983525 0.69 ALPI (0.54) PDK2KDM4EALDH1A1LMNAMAPT
SCHEMBL21662459 0.68 KCNH2 (0.49) ALOX5APPDK2S1PR1CYP4F2CYP4A11
SCHEMBL5172952 0.67 HTT (0.40) PDK2SYKS1PR1CYP4F2CYP4A11
SCHEMBL9980477 0.66 PDK2 (0.44) PDK2LMNAHTT
SCHEMBL31481183 0.66 COMT (0.40) PDK2SYKS1PR1CYP4F2CYP4A11
SCHEMBL15485301 0.65 HTT (0.39) PDK2SYKS1PR1CYP4F2CYP4A11
SCHEMBL960168 0.65 HSD17B10 (0.56) PDK2S1PR1KDM4EALDH1A1LMNA
SCHEMBL1703493 0.65 MAPT (0.42) ALOX5APPDK2S1PR1CYP4F2CYP4A11
SCHEMBL31456905 0.65 HTT (0.42) PDK2S1PR1CYP4F2CYP4A11ALDH1A1

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
WO-2012024150-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed