SCHEMBL8030640

SCHEMBL8030640

CN(C(=O)COc1cccc(N(CC(=O)N(C)c2ccccc2)C(=O)CNC(=O)OC(C)(C)C)c1)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.39
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
NTSR1 P30989 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOD2 Q9HC29 1/20 0.38
HSD17B10 Q99714 1/20 0.36
EGFR P00533 1/20 0.36
RAF1 P04049 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
AURKB Q96GD4 1/20 0.36
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL8033648 0.90 ALDH1A1 (0.41) MLYCDKMT2ASMN1; SMN2HTTMAPK1
SCHEMBL8034135 0.89 MLYCD (0.40) MLYCDKMT2ASMN1; SMN2HTTMAPK1
SCHEMBL8031935 0.87 KMT2A (0.40) KMT2ASMN1; SMN2HTTMAPK1NTSR1
SCHEMBL8033876 0.86 KMT2A (0.40) MLYCDKMT2ASMN1; SMN2HTTMAPK1
SCHEMBL27487708 0.84 MLYCD (0.43) MLYCDKMT2ASMN1; SMN2HTTMAPK1
SCHEMBL27487707 0.84 KDM4E (0.35) MLYCDKMT2ASMN1; SMN2HTTMAPK1
SCHEMBL8031917 0.84 POLQ (0.41) MLYCDKMT2ASMN1; SMN2HTTMAPK1
SCHEMBL8032079 0.81 KMT2A (0.42) MLYCDKMT2ASMN1; SMN2HTTMAPK1
SCHEMBL8020648 0.80 KDM4E (0.38) MLYCDKMT2ASMN1; SMN2HTTMAPK1
SCHEMBL8020737 0.79 HSD17B10 (0.37) MLYCDKMT2ASMN1; SMN2HTTMAPK1

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