SCHEMBL27604368

SCHEMBL27604368

COC(=O)c1ccc(CN(C)C)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.44
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
STAT6 P42226 1/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 1/20 0.43
NR4A2 P43354 3/20 0.43
CREBBP Q92793 1/20 0.43
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 3/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CFTR P13569 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
SCHEMBL12419944 0.83 BRD4 (0.53) BRD4ALDH1A1HSD17B10CNR1CNR2
SCHEMBL31497570 0.83 BRD4 (0.49) BRD4ALDH1A1HSD17B10CNR1NR4A2
SCHEMBL2650431 0.83 BRD4 (0.49) BRD4ALDH1A1HSD17B10CNR1NR4A2
SCHEMBL3107925 0.81 MAPK8 (0.39) BRD4ALDH1A1HSD17B10CNR1NR4A2
SCHEMBL70381 0.81 BRD4 (0.59) BRD4ALDH1A1HSD17B10NR4A2CREBBP
SCHEMBL29434198 0.81 BRD4 (0.59) BRD4ALDH1A1HSD17B10NR4A2CREBBP
SCHEMBL6018021 0.81 ALDH1A1 (0.47) BRD4ALDH1A1HSD17B10CNR1NR4A2
SCHEMBL5751799 0.81 LMNA (0.48) BRD4ALDH1A1HSD17B10CNR1CNR2
SCHEMBL30874622 0.81 ALDH1A1 (0.47) BRD4ALDH1A1HSD17B10CNR1NR4A2
SCHEMBL870191 0.81 ALDH1A1 (0.47) BRD4ALDH1A1HSD17B10CNR1NR4A2

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
CN-100439351-C Benzofuran derivative TANABE SEIYAKU CO (JP) 2008-12-03 CN disclosed
CN-1656086-A Benzofuran derivative TANABE SEIYAKU CO (JP) 2005-08-17 CN disclosed