SCHEMBL15033706

SCHEMBL15033706

Cc1cc(C(F)(F)F)c(N2CCC(C(F)(F)F)CC2)cc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CHRM3 P20309 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MAP4K4 O95819 1/20 0.31
NOTUM Q6P988 3/20 0.31
MAPT P10636 2/20 0.31
PIK3CA P42336 2/20 0.31
SERPINE1 P05121 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL9900024 0.88 SCN10A (0.35) SCN10AMEN1KMT2AUSP2GAA
SCHEMBL25191149 0.84 HSD17B10 (0.36) SCN10AMEN1KMT2AUSP2GAA
SCHEMBL14217240 0.82 ALDH1A1 (0.36) SCN10AMEN1KMT2AUSP2GAA
SCHEMBL30279094 0.81 ALDH1A1 (0.43) MEN1KMT2AUSP2GAAALDH1A1
SCHEMBL25207396 0.81 ALDH1A1 (0.43) MEN1KMT2AUSP2GAAALDH1A1
SCHEMBL25199801 0.80 ALDH1A1 (0.42) MEN1KMT2AUSP2GAAALDH1A1
SCHEMBL31053484 0.80 ALDH1A1 (0.42) MEN1KMT2AUSP2GAAALDH1A1
SCHEMBL9899709 0.78 SERPINE1 (0.47) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL10036396 0.74 MAPT (0.59) MEN1KMT2AUSP2GAAALDH1A1
SCHEMBL25187995 0.74 GAA (0.54) MEN1KMT2AGAAALDH1A1KDM4E

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
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed