SCHEMBL9308618

SCHEMBL9308618

COc1ccc(CN2CCN(C(=O)C3CCCN3C(=O)c3ccc4c(c3)OCO4)CC2)c(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.48
MGLL Q99685 1/20 0.47
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.46
ROCK2 O75116 1/20 0.45

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
SCHEMBL9307946 0.87 ALDH1A1 (0.49) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL9309115 0.87 ALDH1A1 (0.49) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL9027990 0.76 ALDH1A1 (0.53) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL9310196 0.76 ALDH1A1 (0.53) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL9156460 0.75 MEN1 (0.54) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL9156453 0.75 MEN1 (0.54) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL9028587 0.75 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL9426660 0.75 MEN1 (0.54) KDM4EALDH1A1MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL9426653 0.75 MEN1 (0.54) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL9254933 0.71 KMT2A (0.51) KDM4EALDH1A1MEN1KMT2AHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332735-A Antiamnesic activity ADIR ET COMPAGNIE (FR) 1994-07-26 US disclosed