SCHEMBL5790816

SCHEMBL5790816

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MGLL Q99685 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 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

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
SCHEMBL5789479 0.93 GAA (0.46) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5792534 0.92 MEN1 (0.48) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5804368 0.91 POLB (0.47) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5791750 0.91 HTT (0.48) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5789432 0.90 CA1 (0.46) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5789577 0.88 POLB (0.45) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5789654 0.88 CA1 (0.44) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5789503 0.88 MEN1 (0.48) MEN1KMT2ASMN1; SMN2MGLLHTT
SCHEMBL5790876 0.86 MGLL (0.47) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5789394 0.86 MEN1 (0.46) 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 2 patents. 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 claimed
WO-2006016237-A2 HETEROCYCLIC DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-02-16 WO disclosed