SCHEMBL22453780

SCHEMBL22453780

COC(=O)c1ccccc1N(C)c1ccc(N(C)c2ccc(C34CC5CC(C)(CC(C)(C5)C3)C4)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ EPHX2 P34913 4/20 0.36
▸ LMNA P02545 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL22453336 0.88 PGR (0.40) PGRKMT2AEPHX2MEN1POLB
SCHEMBL22452667 0.80 HIF1A (0.44) PGRKMT2ALMNAMEN1NPSR1
SCHEMBL22453481 0.79 PGR (0.46) PGRKMT2ALMNANPSR1HTT
SCHEMBL22452673 0.78 PGR (0.50) PGRKMT2ALMNANPSR1HTT
SCHEMBL22453480 0.77 MAPT (0.52) PGRKMT2AEPHX2MEN1GAA
SCHEMBL22453740 0.76 NPSR1 (0.42) PGRKMT2ALMNAMEN1GAA
SCHEMBL22452670 0.76 LMNA (0.41) PGRKMT2ALMNAMEN1GAA
SCHEMBL22452675 0.75 MDH1 (0.39) PGRKMT2AEPHX2LMNAMEN1
SCHEMBL22452516 0.73 HIF1A (0.47) PGRKMT2AEPHX2LMNAMEN1
SCHEMBL4956421 0.72 KMT2A (0.59) KMT2ALMNAGAANPSR1HTT

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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