SCHEMBL8032129

SCHEMBL8032129

COc1cccc(N(C)C(=O)COc2ccccc2N(CC(=O)N(C)c2ccccc2)C(=O)CN)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
NTSR1 P30989 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NOD2 Q9HC29 1/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HSD17B2 P37059 3/20 0.40
HSD17B1 P14061 2/20 0.40
TSPO P30536 1/20 0.39
MLYCD O95822 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
SCHEMBL8031940 0.93 KMT2A (0.42) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8030560 0.90 KMT2A (0.47) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8036352 0.88 KMT2A (0.43) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8020728 0.88 ALDH1A1 (0.46) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL27489101 0.87 ALDH1A1 (0.41) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8030133 0.85 ALDH1A1 (0.45) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8032079 0.85 KMT2A (0.42) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8036455 0.85 NOTUM (0.43) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8828076 0.84 MTNR1A (0.48) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL27488427 0.84 NOTUM (0.48) 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