SCHEMBL10241822

SCHEMBL10241822

Nc1ncc(-c2ccc(C3(N)CC(F)(F)C3)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 16/20 0.42
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HSD11B1 P28845 1/20 0.36
MAP4K4 O95819 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL10241863 0.85 ALOX5AP (0.46) ALOX5APMAPTLMNAHSD11B1MAP4K4
SCHEMBL11993800 0.78 MAP4K4 (0.43) ALOX5APMAPTLMNAHSD11B1MAP4K4
SCHEMBL10241816 0.75 ALOX5AP (0.47) ALOX5APMAP4K4
SCHEMBL10241315 0.75 ALOX5AP (0.36) ALOX5APMAPTLMNAHSD11B1
SCHEMBL15143149 0.68 ALOX5AP (0.52) ALOX5APHSD11B1
SCHEMBL1951940 0.68 MAPT (0.52) ALOX5APMAPTLMNAMAP4K4KDM4E
SCHEMBL1256178 0.67 MAPT (0.70) ALOX5APMAPTLMNAMAP4K4KDM4E
SCHEMBL11993798 0.67 MAP4K4 (0.44) ALOX5APMAPTLMNAHSD11B1MAP4K4
SCHEMBL10241314 0.67 MAP4K4 (0.53) ALOX5APMAPTLMNAHSD11B1MAP4K4
SCHEMBL4859450 0.66 MAP4K4 (0.56) ALOX5APMAPTLMNAMAP4K4KDM4E

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-2012027322-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 WO disclosed