SCHEMBL14384875

SCHEMBL14384875

CCN(CC)CCC(=O)c1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TERT O14746 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
DNMT1 P26358 1/20 0.38
RAD52 P43351 1/20 0.38
SMARCA2 P51531 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL6601459 0.80 CES2 (0.52) KDM4ECES2CES1MEN1KMT2A
SCHEMBL5954123 0.79 CTNNB1 (0.49) KDM4ECES2CES1MEN1KMT2A
SCHEMBL24693246 0.76 MEN1 (0.38) KDM4ECES2CES1MEN1KMT2A
SCHEMBL1162543 0.75 CES2 (0.56) CES2CES1MEN1KMT2ATDP1
SCHEMBL12934272 0.74 CES2 (0.50) KDM4ECES2CES1MEN1KMT2A
SCHEMBL5954012 0.74 HTR7 (0.61) KDM4EKMT2AALDH1A1MAPTPOLB
SCHEMBL28910438 0.74 CES2 (0.54) KDM4ECES2CES1MEN1KMT2A
SCHEMBL6322827 0.73 KMT2A (0.67) KDM4ECES1MEN1KMT2ATDP1
SCHEMBL2088179 0.72 CES2 (0.52) KDM4ECES2CES1MEN1KMT2A
Hydrochloric Acid SCHEMBL10670271 0.71 KMT2A (0.65) KDM4ECES1MEN1KMT2ATDP1

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-2007136790-A2 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2007-11-29 WO disclosed