SCHEMBL14176882

SCHEMBL14176882

Nc1cccnc1N1CCN(C(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TRPA1 O75762 3/20 0.43
▸ TRPV1 Q8NER1 2/20 0.43
▸ MALT1 Q9UDY8 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RBP4 P02753 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL14176881 0.97 HSD11B1 (0.44) HSD11B1KDM4EL3MBTL1TRPA1TRPV1
SCHEMBL2258896 0.87 KDM4E (0.49) HSD11B1KDM4EMALT1
SCHEMBL2256062 0.87 MEN1 (0.52) KDM4EL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL2260184 0.85 KDM4E (0.55) KDM4EMEN1KMT2AGAAHSD17B10
SCHEMBL2257488 0.84 MEN1 (0.46) HSD11B1KDM4EMALT1MEN1KMT2A
SCHEMBL14176663 0.84 ALDH1A1 (0.45) HSD11B1KDM4EL3MBTL1TRPA1TRPV1
SCHEMBL2256424 0.82 MAPT (0.45) KDM4ETRPV1MEN1MAPTKMT2A
SCHEMBL2259894 0.82 ALDH1A1 (0.50) KDM4EMEN1MAPTKMT2ANPSR1
SCHEMBL14176659 0.81 ALDH1A1 (0.43) KDM4EL3MBTL1TRPA1TRPV1MEN1
SCHEMBL2259974 0.81 SLC6A7 (0.48) KDM4EMEN1MAPTKMT2AGAA

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-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 — — WO disclosed
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