SCHEMBL8034135

SCHEMBL8034135

Cc1cc(C)cc(N(C)C(=O)COc2cccc(N(CC(=O)N(C)c3ccccc3)C(=O)CNC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.40
KMT2A Q03164 7/20 0.38
MAPK1 P28482 1/20 0.38
NTSR1 P30989 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOD2 Q9HC29 1/20 0.38
MEN1 O00255 5/20 0.38
GRM5 P41594 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PPIB P23284 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 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
SCHEMBL8031917 0.93 POLQ (0.41) MLYCDKMT2AMAPK1NTSR1HTT
SCHEMBL8033648 0.89 ALDH1A1 (0.41) MLYCDKMT2AMAPK1NTSR1HTT
SCHEMBL8030640 0.89 MLYCD (0.39) MLYCDKMT2AMAPK1NTSR1HTT
SCHEMBL8033876 0.86 KMT2A (0.40) MLYCDKMT2AMAPK1NTSR1HTT
SCHEMBL8033749 0.84 MLYCD (0.43) MLYCDKMT2AMAPK1NTSR1HTT
SCHEMBL8036317 0.83 MAPK1 (0.45) MLYCDKMT2AMAPK1HTTSMN1; SMN2
SCHEMBL8020820 0.82 KMT2A (0.40) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8032079 0.80 KMT2A (0.42) MLYCDKMT2AMAPK1NTSR1HTT
SCHEMBL8031868 0.80 PPIB (0.38) MLYCDKMT2AMAPK1NTSR1HTT
SCHEMBL8030544 0.79 KMT2A (0.41) MLYCDKMT2AMAPK1NTSR1HTT

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