SCHEMBL23970964

SCHEMBL23970964

COC(=O)c1ccc(Cl)nc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51
TUBB2B Q9BVA1 1/20 0.51
TUBB1 Q9H4B7 1/20 0.51
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45

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
SCHEMBL22658874 0.81 L3MBTL1 (0.45) KDM4EL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL29450481 0.81 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29587479 0.81 L3MBTL1 (0.45) KDM4EL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL424747 0.81 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30411825 0.81 KMT2A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1246770 0.80 SMN1; SMN2 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30798551 0.80 SMN1; SMN2 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3051920 0.80 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29416399 0.80 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2473278 0.80 NPC1 (0.43) KDM4EL3MBTL1SMN1; SMN2NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024218499-A1 HETEROCYCLIC INHIBITORS OF DNA POLYMERASE THETA FOR THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2024-10-24 WO disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
CN-107873023-A 3-alkyl-4-amido-bicyclo [4, 5, 0] hydroxamic acids as HDAC inhibitors 福马治疗股份有限公司 2018-04-03 CN disclosed