SCHEMBL28080703

SCHEMBL28080703

CCC(N)CNC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ANPEP P15144 2/20 0.50
ERAP2 Q6P179 2/20 0.50
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SHBG P04278 1/20 0.41
EPHX1 P07099 2/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SLC2A1 P11166 1/20 0.36
MCHR1 Q99705 1/20 0.33

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
SCHEMBL11437981 0.84 KDM4E (0.48) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL2801217 0.81 KDM4E (0.54) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL11052987 0.78 KDM4E (0.56) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL1443685 0.78 KDM4E (0.56) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL1274004 0.78 KDM4E (0.56) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL29100048 0.78 KDM4E (0.50) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL3585774 0.78 KDM4E (0.50) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL9810147 0.78 KDM4E (0.50) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL11409460 0.77 CXCR4 (0.40) KDM4EANPEPERAP2SMN1; SMN2SHBG
SCHEMBL14612175 0.77 KDM4E (0.54) KDM4EANPEPERAP2HTTSMN1; 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
CN-105802277-A Pigment composition, coloring composition, and manufacturing method for pigment composition 大日精化工业株式会社 2016-07-27 CN disclosed