SCHEMBL5789654

SCHEMBL5789654

CC1(C(=O)NC2CC2)CC(c2cccc(C(=O)N3CCC(Cc4ccccc4)CC3)c2)=NO1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.44
MGLL Q99685 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL5792288 0.96 CHRM2 (0.44) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5789432 0.91 CA1 (0.46) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5789428 0.91 HTT (0.50) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5792534 0.90 MEN1 (0.48) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5789577 0.90 POLB (0.45) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5789479 0.90 GAA (0.46) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5789503 0.89 MEN1 (0.48) MEN1KMT2ASMN1; SMN2HTTMGLL
SCHEMBL5804368 0.89 POLB (0.47) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5790816 0.88 CA1 (0.43) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5790876 0.88 MGLL (0.47) CA1CA2MEN1KMT2ASMN1; SMN2

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