SCHEMBL9407491

SCHEMBL9407491

CC(CNC1CCCCC1)CNC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
ANPEP P15144 2/20 0.47
ERAP2 Q6P179 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
EPHX1 P07099 2/20 0.42
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DPP7 Q9UHL4 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SHBG P04278 1/20 0.37
SLC2A1 P11166 1/20 0.37

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
SCHEMBL9407497 0.91 KDM4E (0.52) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL14612175 0.89 KDM4E (0.54) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL7770658 0.89 KDM4E (0.54) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL24010757 0.89 KDM4E (0.48) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL7775262 0.89 KDM4E (0.54) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL7775213 0.87 KDM4E (0.62) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL1043149 0.87 KDM4E (0.62) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL7775092 0.87 KDM4E (0.62) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL28834995 0.87 KDM4E (0.52) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL7775034 0.86 KDM4E (0.50) 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
EP-0590419-A1 Process for preparing unsaturated amines BASF Aktiengesellschaft (DE) 1994-04-06 EP disclosed