SCHEMBL7012004

SCHEMBL7012004

Cc1c2c(=O)n(C)ncc2nn1Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
HTT P42858 5/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
P2RY14 Q15391 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
MITF O75030 1/20 0.39
S1PR4 O95977 1/20 0.39
MAPT P10636 1/20 0.39
S1PR1 P21453 1/20 0.39
NPBWR1 P48145 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 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
SCHEMBL7008568 0.82 PKM (0.41) LMNAHTTPTGDR2SMN1; SMN2GAA
SCHEMBL7020546 0.78 MAPT (0.41) LMNAHTTSMN1; SMN2ALDH1A1TP53
SCHEMBL7010543 0.77 RAB9A (0.40) LMNAHTTPTGDR2SMN1; SMN2P2RY14
SCHEMBL7012224 0.76 HTT (0.43) LMNAHTTSMN1; SMN2ALDH1A1TP53
SCHEMBL7010653 0.76 PKM (0.45) LMNAHTTSMN1; SMN2ALDH1A1TP53
SCHEMBL7017977 0.74 TRPA1 (0.50) LMNAHTTSMN1; SMN2ALDH1A1RECQL
SCHEMBL7011568 0.74 HPGD (0.44) LMNAHTTSMN1; SMN2GAAALDH1A1
SCHEMBL7013283 0.74 HTT (0.40) LMNAHTTSMN1; SMN2ALDH1A1TP53
SCHEMBL7012844 0.70 HDAC1 (0.47) LMNAHTTSMN1; SMN2ALDH1A1TP53
SCHEMBL7019117 0.70 LMNA (0.43) LMNAHTTSMN1; SMN2ALDH1A1KMT2A

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-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed