SCHEMBL22452973

SCHEMBL22452973

COC(=O)c1cccnc1N(C)c1ccc(N(C)c2ccc(C34CC5CC(C3)C(C5)C4)cc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.40
▸ TUBB4A P04350 2/20 0.37
▸ TUBB P07437 2/20 0.37
▸ TUBA3C P0DPH7 2/20 0.37
▸ TUBA1B P68363 2/20 0.37
▸ TUBA4A P68366 2/20 0.37
▸ TUBB4B P68371 2/20 0.37
▸ TUBB3 Q13509 2/20 0.37
▸ TUBB2A Q13885 2/20 0.37
▸ TUBB8 Q3ZCM7 2/20 0.37
▸ TUBA3E Q6PEY2 2/20 0.37
▸ TUBA1A Q71U36 2/20 0.37
▸ TUBA1C Q9BQE3 2/20 0.37
▸ TUBB6 Q9BUF5 2/20 0.37
▸ TUBB2B Q9BVA1 2/20 0.37
▸ TUBB1 Q9H4B7 2/20 0.37
▸ HIF1A Q16665 8/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL22453012 0.86 LTC4S (0.39) CNR2HIF1AKMT2AGPR55SMN1; SMN2
SCHEMBL22452574 0.84 CNR2 (0.41) CNR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22452627 0.84 CNR2 (0.51) CNR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22452674 0.81 CNR2 (0.42) CNR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22452628 0.81 CNR2 (0.47) CNR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22452744 0.81 SERPINE1 (0.38) CNR2HIF1AKMT2AGPR55SMN1; SMN2
SCHEMBL22453152 0.80 CNR2 (0.47) CNR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22453558 0.80 CNR2 (0.47) CNR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22452579 0.79 CNR2 (0.40) CNR2HIF1AKMT2AGPR55SMN1; SMN2
SCHEMBL22452666 0.79 CNR2 (0.43) 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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