SCHEMBL5790876

SCHEMBL5790876

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK14 Q16539 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.45
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL5789503 0.91 MEN1 (0.48) MGLLHTTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL5793076 0.90 HTT (0.54) MGLLHTTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL5789432 0.90 CA1 (0.46) MGLLHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5789394 0.89 MEN1 (0.46) MGLLHTTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL5792534 0.88 MEN1 (0.48) MGLLHTTSMN1; SMN2CYP2C19MEN1
SCHEMBL5789577 0.88 POLB (0.45) MGLLHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5789654 0.88 CA1 (0.44) MGLLHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5789479 0.88 GAA (0.46) MGLLHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5804368 0.87 POLB (0.47) MGLLHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5790816 0.86 CA1 (0.43) MGLLHTTSMN1; SMN2MEN1KMT2A

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