SCHEMBL25855378

SCHEMBL25855378

COc1ccc(-n2ccc(C(N)=O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 9/20 0.60
TUBB P07437 9/20 0.60
TUBA3C P0DPH7 9/20 0.60
TUBA1B P68363 9/20 0.60
TUBA4A P68366 9/20 0.60
TUBB4B P68371 9/20 0.60
TUBB3 Q13509 9/20 0.60
TUBB2A Q13885 9/20 0.60
TUBB8 Q3ZCM7 9/20 0.60
TUBA3E Q6PEY2 9/20 0.60
TUBA1A Q71U36 9/20 0.60
TUBA1C Q9BQE3 9/20 0.60
TUBB6 Q9BUF5 9/20 0.60
TUBB2B Q9BVA1 9/20 0.60
TUBB1 Q9H4B7 9/20 0.60
PARP10 Q53GL7 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
PARP1 P09874 1/20 0.58
PARP2 Q9UGN5 1/20 0.58

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
SCHEMBL3264192 0.85 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25308227 0.84 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3638425 0.83 PARP10 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31575859 0.81 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3646109 0.81 PARP10 (0.60) PARP10CA1CA2PARP2PARP4
SCHEMBL1827675 0.80 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28037280 0.80 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27933775 0.78 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25304893 0.78 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4159912 0.78 CA12 (0.53) 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
WO-2023131677-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-07-13 WO disclosed