SCHEMBL22452674

SCHEMBL22452674

COC(=O)c1cccnc1N(C)c1ccc(N(C)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.42
▸ TUBB4A P04350 2/20 0.39
▸ TUBB P07437 2/20 0.39
▸ TUBA3C P0DPH7 2/20 0.39
▸ TUBA1B P68363 2/20 0.39
▸ TUBA4A P68366 2/20 0.39
▸ TUBB4B P68371 2/20 0.39
▸ TUBB3 Q13509 2/20 0.39
▸ TUBB2A Q13885 2/20 0.39
▸ TUBB8 Q3ZCM7 2/20 0.39
▸ TUBA3E Q6PEY2 2/20 0.39
▸ TUBA1A Q71U36 2/20 0.39
▸ TUBA1C Q9BQE3 2/20 0.39
▸ TUBB6 Q9BUF5 2/20 0.39
▸ TUBB2B Q9BVA1 2/20 0.39
▸ TUBB1 Q9H4B7 2/20 0.39
▸ HIF1A Q16665 7/20 0.38
▸ EPAS1 Q99814 2/20 0.37
▸ MDH1 P40925 2/20 0.36
▸ MDH2 P40926 2/20 0.36

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
SCHEMBL22453036 0.91 HIF1A (0.36) HIF1AEPAS1LTC4SCASP2KMT2A
SCHEMBL22452675 0.89 MDH1 (0.39) CNR2HIF1AEPAS1MDH1MDH2
SCHEMBL22452627 0.87 CNR2 (0.51) CNR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22452666 0.87 CNR2 (0.43) CNR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22453410 0.87 CNR2 (0.46) CNR2HIF1AEPAS1MDH1MDH2
SCHEMBL22452628 0.87 CNR2 (0.47) CNR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22453558 0.84 CNR2 (0.47) CNR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22453152 0.84 CNR2 (0.47) CNR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22453418 0.81 TAS2R14 (0.41) HIF1AEPAS1MDH1MDH2KMT2A
SCHEMBL22452973 0.81 CNR2 (0.40) CNR2TUBB4ATUBBTUBA3CTUBA1B

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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