SCHEMBL6656331

SCHEMBL6656331

N#Cc1cncc(Br)c1.NC(=O)c1cncc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HTT P42858 4/20 0.44
ALOX15 P16050 1/20 0.44
CYP11B2 P19099 1/20 0.44
RAB9A P51151 1/20 0.42
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ROCK2 O75116 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX12 P18054 1/20 0.40
ROCK1 Q13464 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
PARP1 P09874 1/20 0.39
HPGD P15428 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL3821120 0.87 CYP11B2 (0.50) CYP11B2SIRT2SIRT1SIRT3PARP15
SCHEMBL578591 0.85 POLB (0.67) POLBHCAR2KDM4EHTTALOX15
SCHEMBL31137907 0.85 POLB (0.67) POLBHCAR2KDM4EHTTALOX15
Hydrochloric Acid SCHEMBL31575651 0.83 POLB (0.64) POLBHCAR2KDM4EHTTALOX15
SCHEMBL248926 0.81
SCHEMBL30603171 0.81
SCHEMBL5203421 0.81 HTT (0.45) POLBHCAR2HTTCYP11B2MEN1
SCHEMBL23224108 0.76 PARP1 (0.46) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7172966 0.75 HTT (0.38) POLBHCAR2KDM4EHTTALOX15
SCHEMBL5802182 0.75 HTT (0.46) POLBHCAR2KDM4EHTTCYP11B2

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-1430068-A1 6-O-CARBAMATE-11,12-LACTO-KETOLIDE ANTIMICROBIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-06-23 EP disclosed
WO-2003024986-A1 6-O-CARBAMATE-11,12-LACTO-KETOLIDE ANTIMICROBIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-03-27 WO disclosed