SCHEMBL7013633

SCHEMBL7013633

Cn1c(=O)c2c(ccn2Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)n(C)c1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
TRPA1 O75762 7/20 0.48
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7012643 0.89 TRPA1 (0.58) MAPTTRPA1HDAC1HDAC8HDAC6
SCHEMBL7016155 0.87 TRPA1 (0.43) LMNAMAPK1POLBMAPTHTT
SCHEMBL7009394 0.86 TRPA1 (0.61) TRPA1MAOB
SCHEMBL7021039 0.79 MAOA (0.50) LMNAMAPK1POLBMAPTHTT
SCHEMBL7011108 0.79 LMNA (0.84) LMNAMAPK1POLBMAPTHTT
Hydrochloric Acid SCHEMBL7019827 0.78 LMNA (0.82) LMNAMAPK1POLBMAPTHTT
SCHEMBL7102075 0.76 KMT2A (0.46) LMNAMAPK1MAPTRAB9ATSHR
SCHEMBL7017096 0.75 MAPK1 (0.53) LMNAMAPK1MAPTHTTMAOA
SCHEMBL17493249 0.74 TRPC5 (0.49) LMNAMAPK1POLBMAPTTRPA1
SCHEMBL8642267 0.74 LMNA (0.55) LMNAMAPK1POLBMAPTHTT

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