SCHEMBL31284366

SCHEMBL31284366

COc1cc(C(=O)N2CC(=O)Nc3cc(-c4ccc(Cl)cc4)ccc32)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.71
TUBB P07437 2/20 0.71
TUBA3C P0DPH7 2/20 0.71
TUBA1B P68363 2/20 0.71
TUBA4A P68366 2/20 0.71
TUBB4B P68371 2/20 0.71
TUBB3 Q13509 2/20 0.71
TUBB2A Q13885 2/20 0.71
TUBB8 Q3ZCM7 2/20 0.71
TUBA3E Q6PEY2 2/20 0.71
TUBA1A Q71U36 2/20 0.71
TUBA1C Q9BQE3 2/20 0.71
TUBB6 Q9BUF5 2/20 0.71
TUBB2B Q9BVA1 2/20 0.71
TUBB1 Q9H4B7 2/20 0.71
BRD4 O60885 7/20 0.53
LMNA P02545 4/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 1/20 0.46

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
SCHEMBL31284691 0.93 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31283981 0.91 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31285371 0.91 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31284388 0.91 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31283987 0.91 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31284427 0.91 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31284556 0.90 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31284804 0.88 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31284437 0.87 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31284255 0.87 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
CN-118772131-A Biaryl compound and preparation method and application thereof 河南大学 2024-10-15 CN disclosed