SCHEMBL7945903

SCHEMBL7945903

COC(=O)c1cc(Br)cc(-c2ccc(C)cc2N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 7/20 0.41
HSD17B10 Q99714 5/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
ATM Q13315 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
NPC1 O15118 3/20 0.40
HTT P42858 1/20 0.40
CNR2 P34972 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
SCHEMBL8008715 0.90 TDP1 (0.49) TDP1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL7997686 0.85 KDM4E (0.46) TDP1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL7996748 0.85 CA12 (0.51) TDP1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL8005875 0.85 TDP1 (0.44) TDP1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL3660558 0.85 TDP1 (0.44) TDP1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL3067373 0.84 NOTUM (0.47) NOTUMTDP1ALDH1A1KDM4ELMNA
SCHEMBL8005894 0.82 SLC7A5 (0.43) TDP1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL17707305 0.81 TDP1 (0.58) TDP1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL2171295 0.81 NOTUM (0.41) NOTUMTDP1MAPTHSD17B10ALDH1A1
SCHEMBL16203106 0.80 TDP1 (0.55) NOTUMTDP1MAPTHSD17B10ALDH1A1

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-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO disclosed