SCHEMBL6784397

SCHEMBL6784397

N#Cc1c(N)nc2ccccc2c1Br.N#Cc1c(N)nc2ccccc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 7/20 0.47
GAA P10253 5/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
KDM4A O75164 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
ADORA1 P30542 6/20 0.40
PIM1 P11309 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA2A P29274 7/20 0.39
HSD17B10 Q99714 6/20 0.39
HPGD P15428 4/20 0.39
GLA P06280 3/20 0.38
HTT P42858 2/20 0.38
ADRA2A P08913 2/20 0.38
CASP1 P29466 2/20 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
SCHEMBL31636725 0.91 KDM4E (0.56) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL3518114 0.91 KDM4E (0.56) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL6224089 0.91 KDM4E (0.56) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL6779214 0.88 KDM4E (0.53) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL6779108 0.77 ADORA2A (0.50) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL2725328 0.77 MDM4 (0.45) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL6252164 0.75 KDM4E (0.60) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL5794239 0.75 KDM4E (0.60) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL6221455 0.74 MAP4K4 (0.50) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL31636670 0.74 KDM4E (0.44) KDM4EALDH1A1GAAKMT2AMAPT

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-6800650-B2 FOR THERAPY AND PROPHYLAXIS OF DIABETES, PARTICULARLY NON-INSULIN DEPENDENT DIABETES MELLITUS AND IMPAIRED GLUCOSE TOLERANCE. HOFFMANN-LA ROCHE INC. 2004-10-05 US disclosed