SCHEMBL22452737

SCHEMBL22452737

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ LMNA P02545 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ USP2 O75604 1/20 0.49
▸ PABPC1 P11940 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAPK8 P45983 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ AKR1C3 P42330 8/20 0.43
▸ AKR1C2 P52895 8/20 0.43
▸ FABP3 P05413 1/20 0.43
▸ FABP4 P15090 1/20 0.43
▸ DHODH Q02127 3/20 0.41
▸ CTSV O60911 1/20 0.41
▸ CTSL P07711 1/20 0.41

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
SCHEMBL22453389 0.93 MAPK10 (0.45) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL22452868 0.86 MEN1 (0.53) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL22452870 0.86 DHODH (0.54) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL22453459 0.81 DHODH (0.50) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL22452909 0.80 MAPK10 (0.51) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL22452912 0.79 KMT2A (0.52) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL22453258 0.77 MEN1 (0.49) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL11486316 0.73 MEN1 (0.82) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL31500217 0.73 MEN1 (0.82) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL22453669 0.73 MEN1 (0.60) MEN1KMT2ALMNAPOLBMAPT

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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