SCHEMBL5789503

SCHEMBL5789503

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MGLL Q99685 3/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2B P41595 1/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL5789394 0.93 MEN1 (0.46) MEN1KMT2ASMN1; SMN2MGLLHTT
SCHEMBL5789577 0.91 POLB (0.45) MEN1KMT2ASMN1; SMN2MGLLHTT
SCHEMBL5790876 0.91 MGLL (0.47) MEN1KMT2ASMN1; SMN2MGLLHTT
SCHEMBL5789432 0.91 CA1 (0.46) MEN1KMT2ASMN1; SMN2MGLLHTT
SCHEMBL5789654 0.89 CA1 (0.44) MEN1KMT2ASMN1; SMN2MGLLHTT
SCHEMBL5789479 0.89 GAA (0.46) MEN1KMT2ASMN1; SMN2MGLLHTT
SCHEMBL5792534 0.89 MEN1 (0.48) MEN1KMT2ASMN1; SMN2MGLLHTT
SCHEMBL5789791 0.89 HTT (0.55) MEN1KMT2ASMN1; SMN2MGLLHTT
SCHEMBL5790949 0.89 MEN1 (0.43) MEN1KMT2ASMN1; SMN2MGLLHTT
SCHEMBL5807504 0.89 SLC6A2 (0.45) MEN1KMT2ASMN1; SMN2MGLLHTT

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