SCHEMBL24162997

SCHEMBL24162997

COc1cc(CN2CCN(C3C4CC5CC(C4)C3C5)CC2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP2C9 P11712 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 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
SCHEMBL25968287 0.90 KDM4E (0.56) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL25967980 0.83 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL25968109 0.80 ALDH1A1 (0.46) KDM4EMEN1KMT2AALDH1A1TDP1
Hydrochloric Acid SCHEMBL10334149 0.77 KDM4E (0.75) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL24163320 0.73 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25834338 0.72 KDM4E (0.69) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL9832407 0.72 KDM4E (0.81) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL24162998 0.72 KDM4E (0.53) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL8310001 0.71 KDM4E (0.67) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL16884170 0.71 POLB (0.82) KDM4EMEN1KMT2AALDH1A1TDP1

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
WO-2022006518-A1 COMPOUNDS AND METHODS OF PROMOTING OLIGODENDROCYTE PRECURSOR DIFFERENTIATION THE CLEVELAND CLINIC FOUNDATION (US) 2022-01-06 — — WO disclosed
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