SCHEMBL22452909

SCHEMBL22452909

COC(=O)c1cc(OC)ccc1Nc1ccc(Oc2ccc(OC(F)(F)F)cc2Cl)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 3/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ USP2 O75604 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ PNLIP P16233 1/20 0.41
▸ SCN8A Q9UQD0 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ FBP1 P09467 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL22452868 0.94 MEN1 (0.53) MAPK10MAPK8KMT2AMEN1LMNA
SCHEMBL22452912 0.90 KMT2A (0.52) MAPK10MAPK8KMT2AMEN1LMNA
SCHEMBL22453389 0.87 MAPK10 (0.45) MAPK10MAPK8KMT2AMEN1LMNA
SCHEMBL22452870 0.83 DHODH (0.54) MAPK10MAPK8KMT2AMEN1LMNA
SCHEMBL22452737 0.80 MEN1 (0.53) MAPK10MAPK8KMT2AMEN1LMNA
SCHEMBL22453595 0.77 KMT2A (0.51) KMT2AMEN1LMNAPOLBSMN1; SMN2
SCHEMBL22452913 0.76 LIPE (0.44) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL19808908 0.75 ACACB (0.49) MAPK10MAPK8KMT2ALMNAKDM4E
SCHEMBL22208638 0.74 MAPK10 (0.46) MAPK10MAPK8LMNAMAPTTDP1
SCHEMBL31697202 0.74 MAPK10 (0.46) MAPK10MAPK8LMNAMAPTTDP1

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
WO-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 — — WO disclosed
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