SCHEMBL2167362

SCHEMBL2167362

CC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(CN3CCOCC3)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MCHR1 Q99705 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK14 Q16539 1/20 0.35
HPGD P15428 1/20 0.34
HPGDS O60760 1/20 0.34
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.33
CACNA2D1 P54289 1/20 0.33
PDE7A Q13946 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
SCHEMBL2184240 0.89 HRH3 (0.44) HRH3HIF1AEPAS1ALDH1A1SMN1; SMN2
SCHEMBL2168910 0.88 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL18887347 0.88 HRH3 (0.39) HRH3HIF1AEPAS1ALDH1A1SMN1; SMN2
SCHEMBL2167838 0.85 MAPT (0.35) SMN1; SMN2MEN1KMT2ATP53LMNA
SCHEMBL2167567 0.85 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL2167566 0.84 ADRA1A (0.37) ALDH1A1SMN1; SMN2HPGDHPGDSNPC1
SCHEMBL2171166 0.83 MEN1 (0.44) HRH3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2169831 0.82 HPGD (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL2171193 0.82 HPGD (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL2168355 0.82 LMNA (0.33) SMN1; SMN2TP53LMNAPOLBMAPT

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