SCHEMBL10161804

SCHEMBL10161804

CC(C)(N)c1ccc(-c2cnc(N)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
ALOX5AP P20292 12/20 0.44
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
MAP4K4 O95819 2/20 0.42
FEN1 P39748 4/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE2A O00408 1/20 0.39

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
SCHEMBL12548476 0.86 RAB9A (0.55) MAPTLMNAALOX5APMAP4K4FEN1
SCHEMBL10160571 0.82 ALOX5AP (0.49) MAPTLMNAALOX5APMAP4K4FEN1
SCHEMBL29818212 0.82 KIF11 (0.59) MAPTLMNAALOX5APMAP4K4FEN1
SCHEMBL17164814 0.80 PDE2A (0.54) AKT1AKT2KDM4ENPC1RAB9A
SCHEMBL10150538 0.79 ALOX5AP (0.46) ALOX5APFEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10161422 0.79 ALOX5AP (0.47) MAPTLMNAALOX5AP
SCHEMBL20458847 0.78 KDM4E (0.40) ALOX5APMAP4K4FEN1KDM4EALDH1A1
SCHEMBL12019808 0.78 MTOR (0.45) MAPTLMNAALOX5APMAP4K4FEN1
SCHEMBL10161426 0.77 ALOX5AP (0.49) MAPTLMNAALOX5APFEN1
SCHEMBL17680282 0.74 MKNK1 (0.55)

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