SCHEMBL7307375

SCHEMBL7307375

CCC(NC(C)=O)C(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
ALDH1A1 P00352 4/20 0.39
EPHX1 P07099 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
POLB P06746 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
CTRB1 P17538 1/20 0.31
CA2 P00918 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL24850734 0.81 KDM4E (0.42) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL24851661 0.78 KDM4E (0.39) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL8666209 0.77 KDM4E (0.36) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL19838 0.75 KDM4E (0.48) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL8025595 0.75 KDM4E (0.48) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL11982090 0.75 KDM4E (0.48) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL14378270 0.73 EPHX1 (0.32) SMN1; SMN2ALDH1A1EPHX1POLBCA2
SCHEMBL1704966 0.73 MAPT (0.64) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL4701435 0.73 MAPT (0.64) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL12064252 0.73 MAPT (0.64) SMN1; SMN2MAPTKDM4ETHRBALOX15

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-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed