SCHEMBL28649504

SCHEMBL28649504

CN1CCN(CCCNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.61
NFE2L2 Q16236 3/20 0.61
HTT P42858 1/20 0.59
ALDH1A1 P00352 1/20 0.58
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TGM2 P21980 1/20 0.53
KMT2A Q03164 1/20 0.53
DPP8 Q6V1X1 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
SIGMAR1 Q99720 2/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DRD2 P14416 1/20 0.49

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
SCHEMBL29529291 0.91 HTT (0.60) KEAP1NFE2L2HTTALDH1A1ITGB3
SCHEMBL12195307 0.89 HTT (0.61) KEAP1NFE2L2HTTALDH1A1ITGB3
SCHEMBL20389719 0.88 HTT (0.60) KEAP1NFE2L2HTTALDH1A1ITGB3
SCHEMBL13599671 0.88 HTT (0.56) KEAP1NFE2L2HTTALDH1A1LMNA
SCHEMBL30750669 0.87 HTT (0.59) KEAP1NFE2L2HTTALDH1A1ITGB3
SCHEMBL7159219 0.86 LMNA (0.63) KEAP1NFE2L2HTTALDH1A1LMNA
SCHEMBL12195303 0.86 HTT (0.52) KEAP1NFE2L2HTTALDH1A1ITGB3
SCHEMBL13737251 0.86 HTT (0.60) KEAP1NFE2L2HTTALDH1A1ITGB3
SCHEMBL5108553 0.85 HTT (0.56) KEAP1NFE2L2HTTALDH1A1LMNA
SCHEMBL31596983 0.85 HTT (0.59) KEAP1NFE2L2HTTALDH1A1ITGB3

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
CN-113423427-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2021-09-21 CN disclosed