SCHEMBL4753544

SCHEMBL4753544

C[C@@H](OC(=O)N1CCN(C(=O)O[C@H](C)n2[nH]c(=O)c3ccccc32)CC1)n1[nH]c(=O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
POLB P06746 1/20 0.37
PARP1 P09874 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
HIF1A Q16665 2/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DTYMK P23919 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL2270985 0.75 TP53 (0.46) POLBPARP1L3MBTL1ALDH1A1GAA
SCHEMBL30056795 0.75 TP53 (0.46) POLBPARP1L3MBTL1ALDH1A1GAA
SCHEMBL20725319 0.73 KDM4E (0.44) POLBPARP1L3MBTL1ALDH1A1GAA
SCHEMBL3894139 0.71 SMN1; SMN2 (0.41) POLBPARP1L3MBTL1ALDH1A1KDM4E
SCHEMBL4752572 0.71 POLB (0.56) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL4752476 0.70 SLC6A2 (0.40) ALDH1A1GAAKDM4EHPGDMAPK1
SCHEMBL4752313 0.67 HSD17B10 (0.50) POLBL3MBTL1ALDH1A1KDM4ERAB9A
SCHEMBL4303680 0.67 HSD17B10 (0.47) POLBALDH1A1GAARAB9AHSD17B10
SCHEMBL4749932 0.67 KMT2A (0.48) POLBHPGDSMN1; SMN2HSD17B10MEN1
SCHEMBL22605851 0.64 PRKCG (0.54) CHRM2CHRM4CHRM1CHRM3PARP1

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed