SCHEMBL2167566

SCHEMBL2167566

CC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(N3CCC(N4CCOCC4)C3)nc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 7/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HPGDS O60760 1/20 0.33
AOC3 Q16853 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL2167567 0.95 SMN1; SMN2 (0.36) ADRA1ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2180684 0.94 ADRA1A (0.37) ADRA1ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2168910 0.92 SMN1; SMN2 (0.42) ADRA1ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL18887342 0.89 ADRA1A (0.36) ADRA1ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2169080 0.87 MCHR1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2168083 0.87 KDM5A (0.33) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL2169234 0.86 MEN1 (0.34) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL2169831 0.86 HPGD (0.40) ADRA1ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2171193 0.86 HPGD (0.39) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL2168080 0.85 POLB (0.36) NPC1RAB9ASMN1; SMN2LMNAALDH1A1

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