SCHEMBL22452454

SCHEMBL22452454

COc1ccc(Nc2ccc(F)cc2Oc2ccc(C34CC5CC(C)(CC(C)(C5)C3)C4)cc2Cl)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ FABP3 P05413 2/20 0.40
▸ FABP4 P15090 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ AKR1C3 P42330 3/20 0.36
▸ AKR1C2 P52895 3/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ P2RX7 Q99572 2/20 0.35
▸ MET P08581 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ TOP1 P11387 1/20 0.35

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
SCHEMBL22452447 0.90 KMT2A (0.41) LMNAKMT2AMEN1FABP3FABP4
SCHEMBL22453332 0.87 LMNA (0.41) LMNAKMT2AMEN1FABP3FABP4
SCHEMBL22453398 0.83 KMT2A (0.37) LMNAKMT2AMEN1FABP3FABP4
SCHEMBL22453441 0.81 TDP1 (0.37) LMNAKMT2AMEN1FABP3FABP4
SCHEMBL22452986 0.78 AKR1C3 (0.40) LMNAKMT2AMEN1FABP3FABP4
SCHEMBL22453074 0.77 PARP1 (0.41) LMNAKMT2AMEN1POLBMAPT
SCHEMBL22453440 0.74 TOP1 (0.39) LMNAKMT2AMEN1MAPTHPGD
SCHEMBL22720148 0.70 MEN1 (0.62) LMNAKMT2AMEN1FABP3FABP4
SCHEMBL22453360 0.70 HTR2A (0.33) KMT2AMEN1SCN9A
SCHEMBL22453159 0.69 PDE7A (0.43) LMNAKMT2AMEN1MAPTHPGD

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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