SCHEMBL17801065

SCHEMBL17801065

CC(C)(C)OC(=O)N1CCCC1c1nnc(-c2ccc3c(c2)c(Br)nn3C2CCCCO2)o1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 4/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TSHR P16473 7/20 0.44
LMNA P02545 6/20 0.44
MEN1 O00255 3/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 2/20 0.41
GLA P06280 1/20 0.41
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL17801066 0.89 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL17801089 0.88 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTNPSR1TSHR
SCHEMBL12098306 0.78 KMT2A (0.61) ALDH1A1KMT2AMAPTNPSR1TSHR
SCHEMBL12098303 0.78 KMT2A (0.61) ALDH1A1KMT2AMAPTNPSR1TSHR
SCHEMBL19385176 0.77 USP30 (0.56) ALDH1A1KMT2AMAPTNPSR1TSHR
SCHEMBL17801026 0.76 USP30 (0.37) HCRTR1HCRTR2
SCHEMBL15373546 0.75 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTNPSR1TSHR
SCHEMBL23248002 0.75 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTNPSR1TSHR
SCHEMBL13298120 0.75 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTNPSR1TSHR
SCHEMBL22602035 0.75 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTNPSR1TSHR

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-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed