SCHEMBL28828996

SCHEMBL28828996

COc1c(Cl)cc(F)cc1B(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
TPMT P51580 1/20 0.36
HPGD P15428 1/20 0.33
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33
TUBB8 Q3ZCM7 2/20 0.33
TUBA3E Q6PEY2 2/20 0.33
TUBA1A Q71U36 2/20 0.33
TUBA1C Q9BQE3 2/20 0.33
TUBB6 Q9BUF5 2/20 0.33
TUBB2B Q9BVA1 2/20 0.33
TUBB1 Q9H4B7 2/20 0.33

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
SCHEMBL3759267 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EGAATPMTHPGD
SCHEMBL2467633 0.80 TUBB1 (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29957013 0.80 KMT2A (0.42) ALDH1A1KDM4EGAATPMTHPGD
SCHEMBL29951473 0.78 TUBB4A (0.44) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8226296 0.77 AQP1 (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12260211 0.77 CA2 (0.41) TPMTHPGDTUBB4ATUBBTUBA3C
SCHEMBL6828638 0.77 ILK (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29449610 0.76 GAA (0.41) ALDH1A1KDM4EGAATPMTHPGD
SCHEMBL22588510 0.76 GAA (0.41) ALDH1A1KDM4EGAATPMTHPGD
SCHEMBL25334354 0.75 IDO1 (0.31) SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835688-B Substituted 4-aryl imidazole-2-ketone derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-08-06 CN disclosed
CN-114835688-A Substituted 4-aryl imidazole-2-ketone derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-08-02 CN disclosed