SCHEMBL22673245

SCHEMBL22673245

C#CCNC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.37
ALDH1A1 P00352 5/20 0.37
SIGMAR1 Q99720 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
HTR4 Q13639 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL20482154 0.96 CACNA1H (0.39) CACNA1HALDH1A1SIGMAR1TDP1MEN1
SCHEMBL24356046 0.96 CACNA1H (0.39) CACNA1HALDH1A1SIGMAR1TDP1MEN1
SCHEMBL13759079 0.90 ALDH1A1 (0.43) ALDH1A1SIGMAR1TDP1MEN1KMT2A
SCHEMBL6450457 0.84 CHRM2 (0.38) CACNA1HALDH1A1MEN1KMT2ANPC1
SCHEMBL7130844 0.81 ALDH1A1 (0.53) CACNA1HALDH1A1SIGMAR1TDP1MEN1
SCHEMBL8183645 0.81 SIGMAR1 (0.43) CACNA1HALDH1A1SIGMAR1TDP1MEN1
SCHEMBL14289006 0.80 SIGMAR1 (0.42) CACNA1HALDH1A1SIGMAR1TDP1MEN1
SCHEMBL18291886 0.79 SIGMAR1 (0.41) CACNA1HALDH1A1SIGMAR1TDP1MEN1
SCHEMBL21946338 0.78 BCHE (0.38) CACNA1HALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15693173 0.78 BCHE (0.38) CACNA1HALDH1A1MEN1KMT2ASMN1; SMN2

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-2020228734-A1 A TAG FOR LABELING BIOMOLECULES SHANGHAI POLARIS BIOLOGY CO., LTD. (CN) 2020-11-19 WO disclosed