SCHEMBL28753124

SCHEMBL28753124

CCCCc1ccc2nc(NC(=O)OCCC)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 9/20 1.00
TUBB P07437 9/20 1.00
TUBA3C P0DPH7 9/20 1.00
TUBA1B P68363 9/20 1.00
TUBA4A P68366 9/20 1.00
TUBB4B P68371 9/20 1.00
TUBB3 Q13509 9/20 1.00
TUBB2A Q13885 9/20 1.00
TUBB8 Q3ZCM7 9/20 1.00
TUBA3E Q6PEY2 9/20 1.00
TUBA1A Q71U36 9/20 1.00
TUBA1C Q9BQE3 9/20 1.00
TUBB6 Q9BUF5 9/20 1.00
TUBB2B Q9BVA1 9/20 1.00
TUBB1 Q9H4B7 9/20 1.00
LMNA P02545 4/20 0.81
HIF1A Q16665 2/20 0.81
CYP1A2 P05177 2/20 0.81
CYP2D6 P10635 1/20 0.81
TSHR P16473 1/20 0.81

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
SCHEMBL30785779 1.00 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28753130 0.95 TUBB4A (0.91) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29511469 0.95 TUBB4A (0.91) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28753100 0.93 TUBB4A (0.88) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28753115 0.93 TUBB4A (0.88) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30785776 0.93 TUBB4A (0.88) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30785778 0.93 TUBB4A (0.88) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28941813 0.92 TUBB4A (0.86) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28753241 0.91 TUBB4A (0.84) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Parbendazole SCHEMBL259456 0.90 TUBB4A (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114436972-A Pabendazole derivative and preparation method and application thereof 山东大学 2022-05-06 CN claimed
CN-114436972-B Pabendazole derivative, and preparation method and application thereof 山东大学 2024-02-13 CN disclosed
CN-114436972-A Pabendazole derivative and preparation method and application thereof 山东大学 2022-05-06 CN disclosed