SCHEMBL6869827

SCHEMBL6869827

COc1ccc(CC2Cc3c(Br)cc([N+](=O)[O-])cc3N(c3c(Cl)cccc3Cl)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MAPK14 Q16539 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX5 P09917 1/20 0.39
MAPT P10636 3/20 0.39
CHRM5 P08912 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL6669858 0.81 CHRM5 (0.41) MAPK14MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6672647 0.71 MAPK14 (0.48) MAPK14MEN1KMT2AMAPTCHRM5
SCHEMBL6870151 0.70 MAPK14 (0.62) POLBMAPK14MEN1KMT2ATSHR
SCHEMBL6867107 0.69 MAPK14 (0.49) POLBMAPK14MEN1KMT2ATSHR
SCHEMBL6670558 0.68 CHRM5 (0.47) MAPK14MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6670174 0.65 MAPK14 (0.54) POLBMAPK14MEN1KMT2AALOX5
SCHEMBL6668375 0.65 CHRM5 (0.43) MAPK14MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6668033 0.65 CHRM5 (0.43) MAPK14MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6668342 0.64 MAPK14 (0.73) MAPK14
SCHEMBL6643544 0.63 MAPK14 (0.47) MAPK14ALDH1A1SMN1; SMN2CHRM5CYP1A2

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
US-6809199-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES MERCK & CO., INC. 2004-10-26 US disclosed