SCHEMBL2170222

SCHEMBL2170222

CC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(C3CCOCC3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
HDAC8 Q9BY41 2/20 0.35
CCR5 P51681 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2167838 0.89 MAPT (0.35) MAPTLMNATP53POLBHDAC8
SCHEMBL18887192 0.87 MAPT (0.37) MAPTLMNATP53POLBSMN1; SMN2
SCHEMBL2184240 0.86 HRH3 (0.44) MAPTLMNATP53POLBSMN1; SMN2
SCHEMBL2169151 0.85 MAPT (0.42) MAPTLMNATP53POLBHDAC8
SCHEMBL2171166 0.83 MEN1 (0.44) MAPTLMNATP53POLBSMN1; SMN2
SCHEMBL2168910 0.82 SMN1; SMN2 (0.42) MAPTLMNATP53POLBSMN1; SMN2
SCHEMBL2170216 0.82 NPC1 (0.43) MAPTLMNATP53POLBSMN1; SMN2
SCHEMBL2169312 0.82 ALDH1A1 (0.45) LMNATP53SMN1; SMN2MEN1KMT2A
SCHEMBL2167362 0.81 HRH3 (0.41) MAPTLMNATP53POLBSMN1; SMN2
SCHEMBL2168038 0.80 HPGD (0.43) MAPTLMNATP53POLBSMN1; 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