SCHEMBL8031940

SCHEMBL8031940

COc1cc(OC)cc(N(C)C(=O)COc2ccccc2N(CC(=O)N(C)c2ccccc2)C(=O)CN)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MAPK1 P28482 1/20 0.42
NTSR1 P30989 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NOD2 Q9HC29 1/20 0.42
MEN1 O00255 3/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.39
NOTUM Q6P988 1/20 0.39
NPC1 O15118 1/20 0.39
MLYCD O95822 2/20 0.38
KDM4E B2RXH2 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL8032129 0.93 KMT2A (0.44) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8030560 0.91 KMT2A (0.47) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8020728 0.89 ALDH1A1 (0.46) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8036455 0.88 NOTUM (0.43) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8036352 0.85 KMT2A (0.43) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8030544 0.85 KMT2A (0.41) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL27488427 0.85 NOTUM (0.48) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL27489101 0.84 ALDH1A1 (0.41) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL9134080 0.84 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1POLB
SCHEMBL8030133 0.82 ALDH1A1 (0.45) KMT2AMAPK1NTSR1HTTSMN1; SMN2

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