SCHEMBL10161845

SCHEMBL10161845

C[C@H](c1ccc(-c2cnc(N)nc2)cc1)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
ALOX5AP P20292 11/20 0.41
FEN1 P39748 3/20 0.37
EGFR P00533 1/20 0.37
MAP4K4 O95819 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL882410 0.84 ALOX5AP (0.44) PIK3CGALOX5APFEN1AKT1PIK3CA
SCHEMBL12869440 0.80 MAPT (0.47) PIK3CGMAPTLMNAALOX5APEGFR
SCHEMBL10161797 0.79 MAPT (0.43) PIK3CGMAPTLMNAALOX5APFEN1
SCHEMBL10160734 0.77 MAPT (0.44) PIK3CGMAPTLMNAALOX5APFEN1
SCHEMBL28601137 0.74 FFAR1 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL5549358 0.72 BMPR1B (0.44) PIK3CGMAPTLMNAALOX5APPIK3CA
SCHEMBL22736534 0.71 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL10161795 0.71 MAPT (0.43) MAPTLMNAALOX5APFEN1EGFR
SCHEMBL9156338 0.70 PIK3CD (0.37) MEN1ALDH1A1KMT2AHSD17B10SLC6A2
SCHEMBL9158975 0.70 PTGS2 (0.37)

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