SCHEMBL14040937

SCHEMBL14040937

Nc1c(-c2ccccc2)nc(Nc2ccc(Cl)cc2)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.47
AGPAT2 O15120 1/20 0.45
TP53 P04637 1/20 0.44
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
LCK P06239 1/20 0.42
CSF1R P07333 1/20 0.42
PIM1 P11309 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42

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
SCHEMBL11637387 0.76 KDM4E (0.69) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL32666100 0.76 KDM4E (0.69) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL11680789 0.75 MAPT (0.54) KDM4EMAPTLMNAHTTALDH1A1
SCHEMBL12856322 0.74 XDH (0.62) XDHKDM4EPOLBALDH1A1HPGD
SCHEMBL1801401 0.70 GAA (0.49) AGPAT2TP53KDM4EMAPTLMNA
SCHEMBL30289874 0.69 MAPT (0.58) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL30186672 0.68 ADORA2A (0.52) AGPAT2TP53CLK4
SCHEMBL2326699 0.68 MEN1 (0.56) AGPAT2TP53KDM4EMAPTLMNA
SCHEMBL19690815 0.67 POLA1 (0.48) MAPTLMNAPOLBHTT
SCHEMBL16986307 0.66 MAPT (0.49) KDM4EMAPTLMNAHTTALDH1A1

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-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 EP disclosed