SCHEMBL6409813

SCHEMBL6409813

CN(C)c1nn(C)c(=O)c2nc(N3CCN(C(=O)O)CC3)n(Cc3ccccc3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
TSHR P16473 5/20 0.42
NPSR1 Q6W5P4 5/20 0.42
DPP4 P27487 4/20 0.42
MAPK1 P28482 2/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
USP2 O75604 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PIM1 P11309 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL2964910 0.88 ACHE (0.43) ALDH1A1TSHRMAPK1HTTMAPT
SCHEMBL2958788 0.79 HPGD (0.41) ALDH1A1NPSR1KDM4EHTTMAPT
SCHEMBL27604333 0.69 DPP4 (0.45) ALDH1A1TSHRNPSR1DPP4MAPK1
SCHEMBL2956685 0.69 ADORA2B (0.50) ALDH1A1KDM4EHTTHIF1APOLB
SCHEMBL27604326 0.68 DCTPP1 (0.35) ALDH1A1TSHRMAPTLMNAPOLB
SCHEMBL27623275 0.68 ALDH1A1 (0.47) ALDH1A1TSHRNPSR1DPP4KDM4E
SCHEMBL27604338 0.68 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EHSD17B10HTT
SCHEMBL5718820 0.67 ALDH1A1 (0.83) ALDH1A1TSHRNPSR1DPP4MAPK1
SCHEMBL27604336 0.66 ALDH1A1 (0.45) ALDH1A1TSHRDPP4MAPK1KDM4E
SCHEMBL6417266 0.63 DPP4 (0.40) ALDH1A1DPP4

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
CN-1931859-A New fused imidazole derivative EISAI CO LTD (JP) 2007-03-21 CN disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed