SCHEMBL3832887

SCHEMBL3832887

COc1cc(NC(=O)Cc2ccc(Cl)c(Oc3cc(C#N)cc(C#N)c3)c2)c(C(=O)O)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 5/20 0.45
GAA P10253 3/20 0.45
POLB P06746 1/20 0.44
TRPM4 Q8TD43 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
CHEK1 O14757 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 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
SCHEMBL2639075 0.93 POLB (0.48) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2638409 0.86 MEN1 (0.51) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL2639083 0.82 SMN1; SMN2 (0.48) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3837731 0.82 POLB (0.41) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2638867 0.81 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2GAAPOLB
SCHEMBL2639077 0.81 HPGD (0.47) MEN1KMT2ASMN1; SMN2GAATRPM4
SCHEMBL2640124 0.80 CA12 (0.41) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL2638078 0.80 LMNA (0.51) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2638870 0.80 LMNA (0.44) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL3835920 0.80 RORC (0.45) KDM4EMEN1KMT2AMAPTGAA

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-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP claimed