SCHEMBL5790949

SCHEMBL5790949

CN(C(=O)C1(C)CC(c2cccc(C(=O)N3CCC(Cc4ccccc4)CC3)c2)=NO1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MGLL Q99685 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
HDAC4 P56524 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL5806981 0.91 HDAC4 (0.51) MEN1KMT2ASMN1; SMN2MGLLALDH1A1
SCHEMBL5807504 0.90 SLC6A2 (0.45) MEN1KMT2ASMN1; SMN2MGLLALDH1A1
SCHEMBL5789503 0.89 MEN1 (0.48) MEN1KMT2ASMN1; SMN2MGLLALDH1A1
SCHEMBL5789394 0.87 MEN1 (0.46) MEN1KMT2ASMN1; SMN2MGLLALDH1A1
SCHEMBL5789432 0.85 CA1 (0.46) MEN1KMT2ASMN1; SMN2MGLLALDH1A1
SCHEMBL5790876 0.85 MGLL (0.47) MEN1KMT2ASMN1; SMN2MGLLALDH1A1
SCHEMBL5789577 0.84 POLB (0.45) MEN1KMT2ASMN1; SMN2MGLLALDH1A1
SCHEMBL5792534 0.84 MEN1 (0.48) MEN1KMT2ASMN1; SMN2MGLLALDH1A1
SCHEMBL5789654 0.84 CA1 (0.44) MEN1KMT2ASMN1; SMN2MGLLALDH1A1
SCHEMBL5789479 0.84 GAA (0.46) MEN1KMT2ASMN1; SMN2MGLLALDH1A1

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
WO-2006016237-A2 HETEROCYCLIC DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-02-16 WO disclosed