SCHEMBL8034113

SCHEMBL8034113

COC(=O)Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(OCC(=O)N(C)c3cccc(C#N)c3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MCHR1 Q99705 2/20 0.36
PPIA P62937 1/20 0.36
BDKRB2 P30411 2/20 0.35
KMT2A Q03164 2/20 0.35
CCR3 P51677 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL8033942 0.90 KMT2A (0.40) SMN1; SMN2MAPTLMNAKMT2AALDH1A1
SCHEMBL8020564 0.89 KDM4E (0.37) SMN1; SMN2GAAKDM4EMAPTKMT2A
SCHEMBL8036207 0.88 GRM5 (0.38) SMN1; SMN2GAAMAPTLMNAKMT2A
SCHEMBL8029983 0.88 SMN1; SMN2 (0.36) SMN1; SMN2GAAKDM4EKMT2AALDH1A1
SCHEMBL8020589 0.87 SMN1; SMN2 (0.35) SMN1; SMN2GAAKDM4EBDKRB2KMT2A
SCHEMBL8030465 0.86 KMT2A (0.38) SMN1; SMN2GAAKDM4EMAPTBDKRB2
SCHEMBL8036090 0.86 GAA (0.41) SMN1; SMN2GAAKDM4EMAPTTDP1
SCHEMBL8020628 0.86 KMT2A (0.42) SMN1; SMN2KDM4ELMNAKMT2AALDH1A1
SCHEMBL8031924 0.86 KMT2A (0.35) SMN1; SMN2GAAKDM4EBDKRB2KMT2A
SCHEMBL8030755 0.85 KMT2A (0.47) SMN1; SMN2GAAMAPTKMT2AALDH1A1

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-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed