SCHEMBL22453560

SCHEMBL22453560

COC(=O)c1cccnc1N(C)c1ccc(S(=O)(=O)N(C)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ RCE1 Q9Y256 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HIF1A Q16665 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37

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
SCHEMBL22452700 0.90 GAA (0.38) NPSR1LMNAHTTRCE1GAA
SCHEMBL22452627 0.90 CNR2 (0.51) CNR2NPSR1LMNAHTTRCE1
SCHEMBL22453558 0.86 CNR2 (0.47) CNR2LMNAHIF1AKMT2AMEN1
SCHEMBL22453152 0.86 CNR2 (0.47) CNR2NPSR1LMNAHTTRCE1
SCHEMBL22453562 0.86 CNR2 (0.49) CNR2NPSR1LMNAHTTRCE1
SCHEMBL22452628 0.85 CNR2 (0.47) CNR2NPSR1LMNAHTTRCE1
SCHEMBL22452655 0.82 CNR2 (0.46) CNR2LMNAMAPTHIF1AKMT2A
SCHEMBL22452666 0.81 CNR2 (0.43) CNR2NPSR1LMNAHTTRCE1
SCHEMBL22452674 0.80 CNR2 (0.42) CNR2NPSR1LMNAHTTRCE1
SCHEMBL22453242 0.79 HIF1A (0.43) CNR2NPSR1LMNAHTTGAA

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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