SCHEMBL7010376

SCHEMBL7010376

COc1nn(C)c(=O)c2c1ncn2Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
VNN1 O95497 1/20 0.40
NR3C1 P04150 1/20 0.39
TRPA1 O75762 4/20 0.39
YTHDC1 Q96MU7 1/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 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
SCHEMBL7012335 0.92 LMNA (0.45) LMNAMAPK1SMN1; SMN2VNN1NR3C1
SCHEMBL7012213 0.87 LMNA (0.48) LMNAMAPK1SMN1; SMN2VNN1TRPA1
SCHEMBL7011737 0.83 LMNA (0.48) LMNAMAPK1SMN1; SMN2VNN1TRPA1
SCHEMBL7017977 0.76 TRPA1 (0.50) LMNAMAPK1SMN1; SMN2VNN1TRPA1
SCHEMBL7019117 0.74 LMNA (0.43) LMNAMAPK1SMN1; SMN2VNN1NR3C1
SCHEMBL7011613 0.73 MAPK1 (0.43) LMNAMAPK1SMN1; SMN2VNN1NR3C1
SCHEMBL7021991 0.73 HDAC1 (0.42) LMNAMAPK1SMN1; SMN2VNN1HDAC1
SCHEMBL8642267 0.73 LMNA (0.55) LMNAMAPK1SMN1; SMN2HSD17B10
SCHEMBL7011108 0.73 LMNA (0.84) LMNAMAPK1SMN1; SMN2
SCHEMBL7015484 0.73 HDAC6 (0.44) LMNAMAPK1SMN1; SMN2VNN1NR3C1

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