SCHEMBL8477583

SCHEMBL8477583

CN(C)CCn1c(C(=O)NCCCN2CCOCC2)c(C(c2ccc(O)cc2)c2ccc(O)cc2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.44
GAA P10253 3/20 0.43
POLB P06746 2/20 0.42
PARP1 P09874 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
THRB P10828 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL8472581 0.98 KDM4E (0.46) ALDH1A1KDM4EHPGDALOX15MAPK1
SCHEMBL8477752 0.95 HPGD (0.46) ALDH1A1KDM4EHPGDALOX15MAPK1
SCHEMBL8476333 0.94 KDM4E (0.49) ALDH1A1KDM4EHPGDALOX15MAPK1
SCHEMBL8476897 0.93 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDALOX15MAPK1
SCHEMBL8471992 0.93 KMT2A (0.47) ALDH1A1KDM4EHPGDALOX15MAPK1
SCHEMBL8477279 0.89 LMNA (0.51) ALDH1A1KDM4EHPGDALOX15MAPK1
SCHEMBL8476916 0.88 KDM4E (0.43) ALDH1A1KDM4EHPGDALOX15MAPK1
SCHEMBL8476848 0.88 KDM4E (0.48) ALDH1A1KDM4EHPGDALOX15MAPK1
SCHEMBL8472652 0.88 KDM4E (0.47) ALDH1A1KDM4EHPGDALOX15MAPK1
SCHEMBL8474602 0.87 KDM4E (0.49) ALDH1A1KDM4EHPGDMAPK1HSD17B10

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
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0782988-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed