SCHEMBL7019117

SCHEMBL7019117

Cn1ncc2c(ncn2Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
KCNH2 Q12809 1/20 0.41
VNN1 O95497 1/20 0.41
HTT P42858 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
YTHDC1 Q96MU7 2/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
NR3C1 P04150 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
TRPA1 O75762 2/20 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
SCHEMBL7017977 0.82 TRPA1 (0.50) LMNAMAPK1SMN1; SMN2KCNH2VNN1
SCHEMBL7012844 0.81 HDAC1 (0.47) LMNASMN1; SMN2VNN1HTTKMT2A
SCHEMBL7011737 0.80 LMNA (0.48) LMNAMAPK1SMN1; SMN2VNN1YTHDC1
SCHEMBL7011568 0.80 HPGD (0.44) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL7012213 0.77 LMNA (0.48) LMNAMAPK1SMN1; SMN2VNN1YTHDC1
SCHEMBL7010653 0.77 PKM (0.45) LMNASMN1; SMN2VNN1HTTTSHR
SCHEMBL7012335 0.76 LMNA (0.45) LMNAMAPK1SMN1; SMN2VNN1YTHDC1
SCHEMBL8642267 0.76 LMNA (0.55) LMNAMAPK1SMN1; SMN2HTTALDH1A1
Hydrochloric Acid SCHEMBL8648397 0.75 LMNA (0.54) LMNAMAPK1SMN1; SMN2HTTALDH1A1
SCHEMBL7013283 0.75 HTT (0.40) LMNASMN1; SMN2VNN1HTTKMT2A

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