SCHEMBL2180684

SCHEMBL2180684

CC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(N3CCC(N4CCCC4)C3)nc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.37
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 1/20 0.34
HRH3 Q9Y5N1 5/20 0.34
L3MBTL3 Q96JM7 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TRPV1 Q8NER1 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
SCHEMBL2167566 0.94 ADRA1A (0.37) ADRA1ARAB9ANPC1ALDH1A1HPGD
SCHEMBL2171193 0.91 HPGD (0.39) RAB9ANPC1ALDH1A1HPGDMAPK1
SCHEMBL2167567 0.89 SMN1; SMN2 (0.36) ADRA1ARAB9ANPC1ALDH1A1HPGD
SCHEMBL2169080 0.89 MCHR1 (0.37) RAB9ANPC1ALDH1A1HPGDMAPK1
SCHEMBL2168083 0.89 KDM5A (0.33) RAB9ANPC1ALDH1A1HPGDMAPK1
SCHEMBL18887288 0.89 ADRA1A (0.36) ADRA1ARAB9ANPC1ALDH1A1HPGD
SCHEMBL2169234 0.88 MEN1 (0.34) RAB9ANPC1ALDH1A1HPGDMAPK1
SCHEMBL2169831 0.88 HPGD (0.40) ADRA1ARAB9ANPC1ALDH1A1HPGD
SCHEMBL2167682 0.87 HPGD (0.38) ADRA1ARAB9ANPC1ALDH1A1HPGD
SCHEMBL2168080 0.87 POLB (0.36) RAB9ANPC1ALDH1A1HPGDMAPK1

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