SCHEMBL9701665

SCHEMBL9701665

COc1ccc(-c2ccc(C#N)c(=O)[nH]2)cc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 4/20 0.61
GLA P06280 3/20 0.61
GAA P10253 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
PIM1 P11309 2/20 0.61
MDM2 Q00987 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 2/20 0.40
POLB P06746 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
CHEK1 O14757 1/20 0.39

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
SCHEMBL9701530 0.88 KDM4E (0.65) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9526258 0.81 KDM4E (0.64) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL7371751 0.81 KDM4E (0.57) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701620 0.81 KDM4E (0.57) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL7371748 0.81 KDM4E (0.57) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701626 0.80 ALDH1A1 (0.56) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9526844 0.79 KDM4E (0.55) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701927 0.79 KDM4E (0.55) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701556 0.79 KDM4E (0.51) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9524533 0.78 KDM4E (0.54) KDM4EALDH1A1GLAGAAL3MBTL1

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