SCHEMBL8031976

SCHEMBL8031976

CN(C(=O)COc1cccc(N(CC(=O)N(C)c2ccccc2)C(=O)CN)c1)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MLYCD O95822 2/20 0.43
GRM5 P41594 1/20 0.42
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 1/20 0.39
NTSR1 P30989 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NOD2 Q9HC29 1/20 0.39

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
SCHEMBL8030044 0.94 MLYCD (0.43) ALDH1A1MLYCDGRM5KDM4EKMT2A
SCHEMBL8030265 0.89 KMT2A (0.43) ALDH1A1MLYCDKDM4EKMT2AMEN1
SCHEMBL27487708 0.88 MLYCD (0.43) ALDH1A1MLYCDKDM4EKMT2AMEN1
SCHEMBL8033749 0.87 MLYCD (0.43) ALDH1A1MLYCDGRM5KDM4EKMT2A
SCHEMBL9152678 0.86 HTR3E (0.48) ALDH1A1KMT2ATP53HTTSMN1; SMN2
SCHEMBL8034030 0.85 KMT2A (0.45) ALDH1A1MLYCDKDM4EKMT2AMEN1
SCHEMBL8031968 0.85 KMT2A (0.43) ALDH1A1MLYCDKDM4EKMT2AMEN1
SCHEMBL9134211 0.85 TSHR (0.43) ALDH1A1MLYCDKDM4ETP53CYP3A4
SCHEMBL8033648 0.84 ALDH1A1 (0.41) ALDH1A1MLYCDGRM5KDM4EKMT2A
SCHEMBL8034098 0.83 KMT2A (0.46) ALDH1A1MLYCDKDM4EKMT2AMEN1

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 2 patents. 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
CN-1178523-A Aminophenol derivatives DIICHI PHARMACEUTICAL CO LTD (JP) 1998-04-08 CN disclosed