SCHEMBL22453389

SCHEMBL22453389

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 4/20 0.45
▸ MAPK8 P45983 3/20 0.45
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ POLB P06746 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ USP2 O75604 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ GRM8 O00222 1/20 0.38
▸ GRM7 Q14831 1/20 0.38
▸ GRM4 Q14833 1/20 0.38
▸ PNLIP P16233 1/20 0.38
▸ HTR2C P28335 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
SCHEMBL22452737 0.93 MEN1 (0.53) MAPK10MAPK8MEN1KMT2APOLB
SCHEMBL22452909 0.87 MAPK10 (0.51) MAPK10MAPK8MEN1KMT2APOLB
SCHEMBL22452912 0.86 KMT2A (0.52) MAPK10MAPK8MEN1KMT2APOLB
SCHEMBL22452868 0.81 MEN1 (0.53) MAPK10MAPK8MEN1KMT2APOLB
SCHEMBL22452870 0.79 DHODH (0.54) MAPK10MAPK8MEN1KMT2APOLB
SCHEMBL22452917 0.77 MAPT (0.40) MEN1KMT2APOLBLMNAMAPT
SCHEMBL22453459 0.74 DHODH (0.50) MEN1KMT2APOLBLMNAMAPT
SCHEMBL19808908 0.73 ACACB (0.49) MAPK10MAPK8KMT2ALMNAKDM4E
SCHEMBL22452595 0.73 MEN1 (0.48) MEN1KMT2APOLBLMNAMAPT
SCHEMBL22453402 0.73 MAPT (0.51) MEN1KMT2APOLBLMNAMAPT

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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