SCHEMBL8029983

SCHEMBL8029983

COC(=O)Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(OCC(=O)N(C)c3c(C)cccc3C)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 2/20 0.36
PPIB P23284 1/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MLYCD O95822 1/20 0.35
GAA P10253 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
MAPK1 P28482 1/20 0.34
NTSR1 P30989 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8020589 0.94 SMN1; SMN2 (0.35) SMN1; SMN2KMT2AMEN1PPIBHTT
SCHEMBL8020901 0.94 SMN1; SMN2 (0.37) SMN1; SMN2KMT2AMEN1PPIBHTT
SCHEMBL8031924 0.93 KMT2A (0.35) SMN1; SMN2KMT2AMEN1PPIBHTT
SCHEMBL8033942 0.92 KMT2A (0.40) SMN1; SMN2KMT2AMEN1HTTNPC1
SCHEMBL8036207 0.92 GRM5 (0.38) SMN1; SMN2KMT2AMEN1PPIBHTT
SCHEMBL8030634 0.91 KMT2A (0.36) SMN1; SMN2KMT2AMEN1PPIBHTT
SCHEMBL8020564 0.90 KDM4E (0.37) SMN1; SMN2KMT2AMEN1PPIBHTT
SCHEMBL8030465 0.89 KMT2A (0.38) SMN1; SMN2KMT2AMEN1HTTNPC1
SCHEMBL8030377 0.89 KMT2A (0.39) SMN1; SMN2KMT2AMEN1PPIBHTT
SCHEMBL8020806 0.88 POLQ (0.37) SMN1; SMN2KMT2AMEN1PPIBHTT

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