SCHEMBL2171166

SCHEMBL2171166

CC(C)(C)c1ccc(CN2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(C(=O)N3CCOCC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH3 Q9Y5N1 5/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
HTT P42858 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM3 P20309 2/20 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
SCHEMBL2184240 0.94 HRH3 (0.44) MEN1KMT2AHRH3GAAALDH1A1
SCHEMBL18887180 0.87 MEN1 (0.42) MEN1KMT2AHRH3GAAALDH1A1
SCHEMBL2169312 0.86 ALDH1A1 (0.45) MEN1KMT2AGAAALDH1A1TP53
SCHEMBL2168161 0.85 CHRM2 (0.40) MEN1KMT2AALDH1A1TP53SMN1; SMN2
SCHEMBL2168717 0.84 SMN1; SMN2 (0.42) ALDH1A1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL2180812 0.84 NPC1 (0.43) MEN1KMT2AALDH1A1TP53SMN1; SMN2
SCHEMBL2167362 0.83 HRH3 (0.41) MEN1KMT2AHRH3GAAALDH1A1
SCHEMBL2170222 0.83 MAPT (0.39) MEN1KMT2AGAAALDH1A1TP53
SCHEMBL2168317 0.82 GFER (0.39) MEN1KMT2AGAAALDH1A1TP53
SCHEMBL2168910 0.81 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1TP53SMN1; SMN2

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