SCHEMBL9701556

SCHEMBL9701556

CN(C)c1ccc(-c2ccc(C#N)c(=O)[nH]2)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
ALDH1A1 P00352 7/20 0.51
GAA P10253 5/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GLA P06280 2/20 0.51
MDM2 Q00987 1/20 0.41
MAPT P10636 3/20 0.40
PIM1 P11309 1/20 0.39
HPGD P15428 3/20 0.35
GALR3 O60755 1/20 0.35
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
PDE5A O76074 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL9701665 0.79 KDM4E (0.61) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL11736292 0.77 KDM4E (0.51) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL11741908 0.76 KDM4E (0.64) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL7365683 0.75 KDM4E (0.51) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL9524981 0.74 KDM4E (0.54) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL7397061 0.73 KDM4E (0.64) KDM4EALDH1A1GAAL3MBTL1GLA
Dimethylamine SCHEMBL9701559 0.72 KDM4E (0.62) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL9529307 0.72 KDM4E (0.55) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL9701530 0.71 KDM4E (0.65) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL9700663 0.71 MAPT (0.36) MAPT

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-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed