SCHEMBL8471992

SCHEMBL8471992

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
PKM P14618 1/20 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
CNR2 P34972 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.43
BCL3 P20749 1/20 0.43
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
PARP1 P09874 1/20 0.42

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
SCHEMBL8476333 0.93 KDM4E (0.49) KMT2AALDH1A1KDM4EHPGDALOX15
SCHEMBL8476897 0.93 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8477583 0.93 ALDH1A1 (0.46) KMT2AALDH1A1KDM4EHPGDALOX15
SCHEMBL8472581 0.91 KDM4E (0.46) KMT2AALDH1A1KDM4EHPGDALOX15
SCHEMBL8476916 0.88 KDM4E (0.43) KMT2AALDH1A1KDM4EHPGDALOX15
SCHEMBL8477752 0.87 HPGD (0.46) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8477279 0.86 LMNA (0.51) KMT2AALDH1A1KDM4EPKMHPGD
SCHEMBL8472285 0.85 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8472229 0.85 KDM4E (0.55) KMT2AALDH1A1KDM4EHPGDALOX15
SCHEMBL8472597 0.83 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1KDM4EHPGD

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-0782989-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed