SCHEMBL1432227

SCHEMBL1432227

CCC(CC)Nc1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
CA1 P00915 1/20 0.50
MMP2 P08253 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
IDO1 P14902 1/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
TGM2 P21980 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
SCHEMBL19334564 0.78 MAPT (0.53) GAAALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL7473537 0.78 CA1 (0.55) GAACA1MMP2CA14ALDH1A1
SCHEMBL10959519 0.77 ALDH1A1 (0.47) CA14ALDH1A1RAB9ARAPGEF4MAPT
SCHEMBL19334573 0.77 CA12 (0.50) MMP2CA14ALDH1A1HPGDRAPGEF4
SCHEMBL15928729 0.77 MAPT (0.47) GAAALDH1A1SMN1; SMN2RAB9ARAPGEF4
Hydrochloric Acid SCHEMBL5234166 0.76 CA1 (0.53) GAACA1MMP2CA14ALDH1A1
SCHEMBL11674687 0.76 CA1 (0.53) GAACA1MMP2CA14ALDH1A1
SCHEMBL2495982 0.74 TDP1 (0.54) GAAALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL790339 0.74 MEN1 (0.52) GAACA1MMP2CA14ALDH1A1
SCHEMBL1419332 0.74 EGFR (0.56) GAACA1MMP2CA14ALDH1A1

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
EP-2300463-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-03-30 EP disclosed
WO-2009147433-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2009-12-10 WO disclosed