SCHEMBL7253240

SCHEMBL7253240

CC(C)c1ccc(-c2c(C(=O)Nc3ccc(N4CCN(Cc5nccs5)CC4)cc3)cccc2C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.44
ESR2 Q92731 1/20 0.44
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
CREBBP Q92793 1/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MT-CO2 P00403 1/20 0.39
MTTP P55157 2/20 0.39
SMO Q99835 2/20 0.39
NPC1 O15118 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
SCHEMBL7256859 0.84 MAPT (0.47) NR4A1ESR2MAPTTSHRMAPK1
SCHEMBL7258378 0.83 MAPT (0.54) NR4A1ESR2MAPTTSHRMAPK1
SCHEMBL7253740 0.82 MT-CO2 (0.55) NR4A1ESR2MAPTTSHRMAPK1
SCHEMBL7253746 0.81 ALDH1A1 (0.45) NR4A1ESR2MAPTTSHRMAPK1
SCHEMBL7253800 0.81 ALDH1A1 (0.45) NR4A1ESR2MAPTTSHRMAPK1
SCHEMBL7253222 0.75 MAPT (0.51) ESR2MAPTTSHRMAPK1ALDH1A1
SCHEMBL6702911 0.74 L3MBTL1 (0.48) LMNACREBBPRAB9AMT-CO2
SCHEMBL6698288 0.74 L3MBTL1 (0.60) MAPTRAB9ASMN1; SMN2
SCHEMBL7256854 0.72 MAPKAPK2 (0.42) NR4A1ESR2MAPTTSHRMAPK1
SCHEMBL6699799 0.71 L3MBTL1 (0.49) RAB9AMT-CO2NPC1

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-2003048121-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO disclosed