SCHEMBL22452574

SCHEMBL22452574

COC(=O)c1cccnc1N(C)c1ccc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.41
▸ 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
▸ TUBA1A Q71U36 1/20 0.37
▸ TUBA1C Q9BQE3 1/20 0.37
▸ TUBB6 Q9BUF5 1/20 0.37
▸ TUBB2B Q9BVA1 1/20 0.37
▸ TUBB1 Q9H4B7 1/20 0.37
▸ HIF1A Q16665 9/20 0.36
▸ EPAS1 Q99814 2/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ GPR55 Q9Y2T6 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
SCHEMBL22452579 0.92 CNR2 (0.40) CNR2HIF1AEPAS1KMT2AGPR55
SCHEMBL22452697 0.92 SERPINE1 (0.41) HIF1AEPAS1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL22453152 0.89 CNR2 (0.47) CNR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22453117 0.87 CNR2 (0.53) CNR2HIF1AEPAS1KMT2ASMN1; SMN2
SCHEMBL22452627 0.85 CNR2 (0.51) CNR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22452783 0.84 LMNA (0.33) HIF1AKMT2AGPR55SMN1; SMN2NPC1
SCHEMBL22452973 0.84 CNR2 (0.40) CNR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22452747 0.83 SERPINE1 (0.41) HIF1AEPAS1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL22453153 0.83 TDP1 (0.47) CNR2HIF1AEPAS1
SCHEMBL22453525 0.82 MAPT (0.50) CNR2HIF1AEPAS1KMT2AGPR55

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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