SCHEMBL8030634

SCHEMBL8030634

COC(=O)Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(OCC(=O)N(C)c3cc(C)ccc3C)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
BDKRB2 P30411 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
PPIB P23284 1/20 0.33

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
SCHEMBL8020758 0.94 KMT2A (0.37) KMT2AMEN1MAPK1SMN1; SMN2MAPT
SCHEMBL8020589 0.94 SMN1; SMN2 (0.35) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8033942 0.92 KMT2A (0.40) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8031924 0.91 KMT2A (0.35) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8036207 0.91 GRM5 (0.38) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8029983 0.91 SMN1; SMN2 (0.36) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8030447 0.90 KMT2A (0.37) KMT2AMEN1MAPK1SMN1; SMN2BDKRB2
SCHEMBL8030465 0.89 KMT2A (0.38) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL8020736 0.88 ITGB1 (0.36) KMT2AMEN1MAPK1SMN1; SMN2NPC1
SCHEMBL8020564 0.87 KDM4E (0.37) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT

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