SCHEMBL4807142

SCHEMBL4807142

CC1(COc2ccccc2NC(=O)C(F)(F)F)CO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
ALDH1A1 P00352 2/20 0.43
BRD4 O60885 1/20 0.43
GAA P10253 2/20 0.42
JAK2 O60674 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KLK7 P49862 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 2/20 0.40
MLYCD O95822 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 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
SCHEMBL3807614 0.85 BRD4 (0.58) KDM4EPOLBL3MBTL1ALDH1A1BRD4
SCHEMBL3807611 0.85 BRD4 (0.58) KDM4EPOLBL3MBTL1ALDH1A1BRD4
SCHEMBL6214263 0.85 BRD4 (0.58) KDM4EPOLBL3MBTL1ALDH1A1BRD4
SCHEMBL3810595 0.81 GAA (0.50) POLBALDH1A1BRD4GAATP53
SCHEMBL12153170 0.79 GAA (0.65) KDM4EPOLBL3MBTL1ALDH1A1GAA
SCHEMBL13676821 0.79 KDM4E (0.48) KDM4EPOLBL3MBTL1PDK1PDK2
SCHEMBL2226280 0.74 PDK1 (0.72) KDM4EPOLBL3MBTL1PDK1PDK2
SCHEMBL8156542 0.74 BRD4 (0.67) KDM4EPOLBL3MBTL1PDK1PDK2
SCHEMBL6211946 0.73 CCR1 (0.47) KDM4EPOLBL3MBTL1ALDH1A1BRD4
SCHEMBL4218068 0.72 CYP1A2 (0.69) KDM4EPOLBALDH1A1MAPTHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388020-B2 Benzimidazol derivatives modulate chemokine receptors ASTRAZENECA AB (SE) 2008-06-17 US disclosed
US-20040116435-A1 Benzimidazol derivatives modulate chemokine receptors ASTRAZENECA AB (SE) 2004-06-17 US disclosed
EP-1373248-A1 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS AstraZeneca AB (SE) 2004-01-02 EP disclosed
WO-2002074763-A9 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002074763-A1 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed