SCHEMBL2171193

SCHEMBL2171193

CC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(N3CCCCC3)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GBA1 P04062 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
POLB P06746 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL2167682 0.95 HPGD (0.38) HPGDALDH1A1SMN1; SMN2GBA1TRPV1
SCHEMBL2169831 0.94 HPGD (0.40) HPGDALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL2168080 0.93 POLB (0.36) HPGDALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL2168910 0.93 SMN1; SMN2 (0.42) HPGDALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL2169211 0.93 ITK (0.38) HPGDALDH1A1GBA1POLBKDM4E
SCHEMBL2180684 0.91 ADRA1A (0.37) HPGDALDH1A1SMN1; SMN2TRPV1NPC1
SCHEMBL2169080 0.89 MCHR1 (0.37) HPGDALDH1A1SMN1; SMN2TRPV1POLB
SCHEMBL2168083 0.89 KDM5A (0.33) HPGDALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL2169234 0.89 MEN1 (0.34) HPGDALDH1A1SMN1; SMN2TRPV1POLB
SCHEMBL2167567 0.88 SMN1; SMN2 (0.36) HPGDALDH1A1SMN1; SMN2POLBKDM4E

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