SCHEMBL2168038

SCHEMBL2168038

CC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(N3CCCC3=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
F10 P00742 2/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2183275 0.88 F10 (0.42) HPGDF10LMNATSHRMEN1
SCHEMBL18887303 0.87 HPGD (0.41) HPGDF10ALDH1A1LMNATSHR
SCHEMBL2167658 0.86 AKR1C3 (0.43) HPGDF10LMNATSHRMEN1
SCHEMBL2169151 0.84 MAPT (0.42) HPGDALDH1A1LMNATSHRMEN1
SCHEMBL2184240 0.80 HRH3 (0.44) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL2170222 0.80 MAPT (0.39) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL2171193 0.79 HPGD (0.39) HPGDALDH1A1LMNATSHRMEN1
SCHEMBL2169831 0.78 HPGD (0.40) HPGDALDH1A1LMNATSHRMEN1
SCHEMBL2167682 0.78 HPGD (0.38) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL2168080 0.77 POLB (0.36) HPGDALDH1A1LMNATSHRMEN1

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