SCHEMBL10161797

SCHEMBL10161797

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
ALOX5AP P20292 8/20 0.42
MAP4K4 O95819 2/20 0.39
EGFR P00533 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.35
ROCK1 Q13464 1/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
PRKDC P78527 2/20 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
SCHEMBL10160734 0.83 MAPT (0.44) MAPTLMNAALOX5APMAP4K4EGFR
SCHEMBL12869440 0.82 MAPT (0.47) MAPTLMNAALOX5APMAP4K4EGFR
SCHEMBL10161795 0.81 MAPT (0.43) MAPTLMNAALOX5APMAP4K4EGFR
SCHEMBL10161845 0.79 PIK3CG (0.42) MAPTLMNAALOX5APMAP4K4EGFR
SCHEMBL12019807 0.76 ALOX5AP (0.39) MAPTLMNAALOX5APMAP4K4EGFR
SCHEMBL3271282 0.74 DPP4 (0.45) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL10161766 0.73 ALOX5AP (0.37) MAPTLMNAALOX5APMAP4K4EGFR
SCHEMBL12019806 0.71 MAPT (0.38) MAPTLMNAALOX5APMAP4K4EGFR
SCHEMBL5549358 0.71 BMPR1B (0.44) MAPTLMNAALOX5APATMTLR7
SCHEMBL9613271 0.71 LMNA (0.52) MAPTLMNAMAP4K4KDM4EMEN1

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