SCHEMBL13307299

SCHEMBL13307299

CBc1cccc(-c2c(Cl)nc(Cl)c(=O)n2Cc2ccc(OC)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
TP53 P04637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 2/20 0.41
CNR2 P34972 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
THRB P10828 1/20 0.40
PDE5A O76074 1/20 0.40
NPBWR1 P48145 1/20 0.40
P2RX4 Q99571 1/20 0.39
BLM P54132 1/20 0.39
GAA P10253 1/20 0.39
DCTPP1 Q9H773 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRA5 P31644 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
SCHEMBL13307022 0.88 CFTR (0.46) MAPTTP53KDM4ELMNASMN1; SMN2
SCHEMBL4478946 0.77 MAPT (0.43) MAPTTP53KDM4ELMNASMN1; SMN2
SCHEMBL13889574 0.71 KDM4E (0.46) MAPTKDM4EALDH1A1L3MBTL1HPGD
SCHEMBL31520378 0.70 TP53 (0.45) MAPTTP53KDM4ELMNASMN1; SMN2
SCHEMBL4397339 0.69 P2RX4 (0.49) MAPTTP53KDM4ELMNASMN1; SMN2
SCHEMBL14537324 0.68 F2 (0.50) MAPTTP53KDM4ELMNASMN1; SMN2
SCHEMBL9539742 0.66 AURKA (0.52) MAPTTP53KDM4ELMNASMN1; SMN2
SCHEMBL19458501 0.65 PDE1B (0.56) MAPTKDM4EALDH1A1NPBWR1
SCHEMBL31014917 0.65 KMT2A (0.60) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL4397609 0.64 HDAC1 (0.46) MAPTTP53KDM4ELMNASMN1; SMN2

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
EP-2013202-B1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2010-06-16 EP disclosed