SCHEMBL29620949

SCHEMBL29620949

N#Cc1ccc(Nc2nc(-c3ccc(OC(F)(F)F)cn3)no2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 6/20 0.38
TUBB P07437 6/20 0.38
TUBA3C P0DPH7 6/20 0.38
TUBA1B P68363 6/20 0.38
TUBA4A P68366 6/20 0.38
TUBB4B P68371 6/20 0.38
TUBB3 Q13509 6/20 0.38
TUBB2A Q13885 6/20 0.38
TUBB8 Q3ZCM7 6/20 0.38
TUBA3E Q6PEY2 6/20 0.38
TUBA1A Q71U36 6/20 0.38
TUBA1C Q9BQE3 6/20 0.38
TUBB6 Q9BUF5 6/20 0.38
TUBB2B Q9BVA1 6/20 0.38
TUBB1 Q9H4B7 6/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
TRPA1 O75762 1/20 0.38
CHEK1 O14757 6/20 0.37
CTSS P25774 1/20 0.37

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
SCHEMBL28939446 1.00 TUBB4A (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28733766 0.89 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29620915 0.89 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22926108 0.87 CASP3 (0.43) HDAC4HDAC1CHEK1GRM5
SCHEMBL22925955 0.83 CASP3 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29620907 0.81 MEN1 (0.40) TRPA1CHEK1MEN1NPC1MAPT
SCHEMBL28733613 0.81 MEN1 (0.40) TRPA1CHEK1MEN1NPC1MAPT
SCHEMBL31013365 0.80 CYP3A4 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22925938 0.79 TUBB4A (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28939251 0.79 TUBB4A (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed