SCHEMBL14049765

SCHEMBL14049765

Cc1ccc(CN2CCCCCC2)s1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
HRH3 Q9Y5N1 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
PRMT6 Q96LA8 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL12203995 0.98 KDM4E (0.51) KDM4EALDH1A1TDP1MAPTHTT
SCHEMBL11329325 0.86 ALDH1A1 (0.62) KDM4EALDH1A1TDP1MAPTHTT
SCHEMBL21127873 0.83 KDM4E (0.67) KDM4EALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL13828361 0.83 HTT (0.51) KDM4EALDH1A1TDP1MAPTHTT
SCHEMBL14625789 0.80 ALDH1A1 (0.54) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL15084308 0.79 LMNA (0.51) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL13185587 0.78 ALDH1A1 (0.51) KDM4EALDH1A1TDP1MAPTHTT
SCHEMBL13375730 0.78 KDM4E (0.44) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL807388 0.77 LMNA (0.50) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL1474097 0.77 KDM4E (0.69) KDM4EALDH1A1TDP1MAPTHTT

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-2008118724-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-02 WO disclosed