SCHEMBL28078173

SCHEMBL28078173

CC(C)(C)OC(=O)N1CCN(C2CNC2)CC1.c1ccc(CN2CCNCC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ GPR119 Q8TDV5 2/20 0.45
▸ POLB P06746 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TRPV6 Q9H1D0 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ THRB P10828 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
SCHEMBL2137893 0.84 ALDH1A1 (0.68) KDM4EALDH1A1GPR119POLBCYP2C19
SCHEMBL26757990 0.80 ALDH1A1 (0.63) KDM4EALDH1A1GPR119POLBL3MBTL1
SCHEMBL1306212 0.75 USP2 (0.49) KDM4EALDH1A1GPR119L3MBTL1MAPT
Hydrochloric Acid SCHEMBL7811769 0.74 USP2 (0.47) KDM4EALDH1A1GPR119L3MBTL1MAPT
Tert-Butyl Formate SCHEMBL27666302 0.74 ALDH1A1 (0.50) KDM4EALDH1A1CYP2C19L3MBTL1TSHR
SCHEMBL3954399 0.73 THRB (0.58) KDM4EALDH1A1GPR119POLBLMNA
SCHEMBL9221205 0.73 ALDH1A1 (0.65) KDM4EALDH1A1CYP2C19L3MBTL1MAPT
SCHEMBL30254155 0.73 ALDH1A1 (0.45) KDM4EALDH1A1GPR119POLBL3MBTL1
SCHEMBL209471 0.73 ALDH1A1 (0.61) KDM4EALDH1A1CYP2C19L3MBTL1TSHR
SCHEMBL4903097 0.73 ALDH1A1 (0.61) KDM4EALDH1A1CYP2C19L3MBTL1TSHR

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
CN-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 — — CN claimed
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