SCHEMBL2184240

SCHEMBL2184240

CC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.41
GAA P10253 2/20 0.40
HIF1A Q16665 2/20 0.39
EPAS1 Q99814 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM2 P08172 3/20 0.39
CHRM3 P20309 3/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL2171166 0.94 MEN1 (0.44) HRH3MEN1KMT2ASMN1; SMN2TP53
SCHEMBL2167362 0.89 HRH3 (0.41) HRH3MEN1KMT2ASMN1; SMN2TP53
SCHEMBL18887175 0.87 HRH3 (0.42) HRH3MEN1KMT2ASMN1; SMN2TP53
SCHEMBL2170222 0.86 MAPT (0.39) MEN1KMT2ASMN1; SMN2TP53NPC1
SCHEMBL2168910 0.84 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2TP53NPC1
SCHEMBL2169151 0.84 MAPT (0.42) MEN1KMT2ASMN1; SMN2TP53HPGD
SCHEMBL2170216 0.84 NPC1 (0.43) MEN1KMT2ASMN1; SMN2TP53NPC1
SCHEMBL2169312 0.83 ALDH1A1 (0.45) MEN1KMT2ASMN1; SMN2TP53HPGD
SCHEMBL2168161 0.82 CHRM2 (0.40) MEN1KMT2ASMN1; SMN2TP53NPC1
SCHEMBL2167567 0.81 SMN1; SMN2 (0.36) MEN1KMT2ASMN1; SMN2TP53NPC1

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
JP-4732354-B2 2011-07-27 JP claimed