SCHEMBL22452870

SCHEMBL22452870

COc1ccc(Nc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)nc2)c(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.54
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ LMNA P02545 3/20 0.53
▸ POLB P06746 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MAPK8 P45983 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ AKR1C3 P42330 1/20 0.50
▸ AKR1C2 P52895 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ USP2 O75604 1/20 0.48
▸ PABPC1 P11940 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ TTR P02766 1/20 0.48
▸ PPOX P50336 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL22452912 0.93 KMT2A (0.52) DHODHMEN1KMT2ALMNAPOLB
SCHEMBL22452868 0.89 MEN1 (0.53) DHODHMEN1KMT2ALMNAPOLB
SCHEMBL22452471 0.88 MEN1 (0.63) DHODHMEN1KMT2ALMNAPOLB
SCHEMBL22452737 0.86 MEN1 (0.53) DHODHMEN1KMT2ALMNAPOLB
SCHEMBL22452909 0.83 MAPK10 (0.51) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL22453459 0.81 DHODH (0.50) DHODHMEN1KMT2ALMNAPOLB
SCHEMBL22453595 0.80 KMT2A (0.51) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL22453389 0.79 MAPK10 (0.45) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL3471637 0.77 MAPT (0.57) DHODHMEN1KMT2ALMNAPOLB
SCHEMBL31500249 0.77 AKR1C3 (0.64) DHODHMEN1KMT2ALMNAPOLB

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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