SCHEMBL2583299

SCHEMBL2583299

CCOC(=O)[C@H]1CCC(c2ccc(F)nc2F)=N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 7/20 0.32
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DPP4 P27487 1/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
PDK1 Q15118 1/20 0.31

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
SCHEMBL4508124 0.82
SCHEMBL4508130 0.82
SCHEMBL2585015 0.81 ALDH1A1 (0.38) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL2578450 0.81 ALDH1A1 (0.46) ALDH1A1HTTTDP1DPP4MAPT
SCHEMBL2585115 0.78 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1DPP4GAA
SCHEMBL22040222 0.77 NR3C2 (0.43) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL2585920 0.74 XPO1 (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL2344446 0.74 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL2344442 0.74 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL20835448 0.74 RAB9A (0.51) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E

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