SCHEMBL2585015

SCHEMBL2585015

CCOC(=O)[C@H]1CCC(c2ccc(F)c(F)c2F)=N1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 3/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
LMNA P02545 1/20 0.33
GRIN2B Q13224 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2578450 0.84 ALDH1A1 (0.46) ALDH1A1TDP1TSHRPOLBGAA
SCHEMBL2585115 0.84 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1GAA
SCHEMBL2583299 0.81 ALDH1A1 (0.33) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2344442 0.80 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2344446 0.80 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4510422 0.80 CES2 (0.33) POLBGRIN2B
SCHEMBL4510426 0.80 CES2 (0.33) POLBGRIN2B
SCHEMBL2346544 0.80 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2346553 0.80 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL22040222 0.78 NR3C2 (0.43) ALDH1A1KDM4EMEN1KMT2ATDP1

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
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed