SCHEMBL3393248

SCHEMBL3393248

COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)N(OS(C)(=O)=O)c4cc(C(C)(C)C)nn4-c4ccc(C)cc4)c(C)n3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
MAPK1 P28482 3/20 0.43
LMNA P02545 7/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.40
HTT P42858 5/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.38
ALOX15 P16050 3/20 0.38
USP2 O75604 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTK2B Q14289 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL3394251 0.96 PTK2B (0.39) MAPTMAPK1LMNAKMT2AMEN1
SCHEMBL3390908 0.93 ALDH1A1 (0.38) MAPTMAPK1KMT2AALDH1A1PTK2B
SCHEMBL3394286 0.93 LMNA (0.37) MAPTMAPK1LMNAKMT2AMEN1
SCHEMBL3389398 0.90 PTK2B (0.36) MAPTMAPK1LMNAKMT2AMEN1
SCHEMBL3394297 0.90 PTK2B (0.40) LMNAKMT2AHTTALDH1A1KDM4E
SCHEMBL3392512 0.90 PTK2B (0.36) MAPTKMT2AMEN1PTK2BMAPK14
SCHEMBL3389419 0.89 ALDH1A1 (0.39) MAPTLMNAKMT2AMEN1TSHR
SCHEMBL3180430 0.88 CDK8 (0.35) PTK2BMAPK14
SCHEMBL3392554 0.88 PTK2B (0.37) KMT2AMEN1TSHRPOLBHTT
SCHEMBL3393200 0.88 PTK2B (0.37) MAPTMAPK1LMNAKMT2AMEN1

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-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed