SCHEMBL29037686

SCHEMBL29037686

CCO/C=C/c1cnc(OC)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49
TUBB3 Q13509 2/20 0.49
TUBB2A Q13885 2/20 0.49
TUBB8 Q3ZCM7 2/20 0.49
TUBA3E Q6PEY2 2/20 0.49
TUBA1A Q71U36 2/20 0.49
TUBA1C Q9BQE3 2/20 0.49
TUBB6 Q9BUF5 2/20 0.49
TUBB2B Q9BVA1 2/20 0.49
TUBB1 Q9H4B7 2/20 0.49
MAPT P10636 1/20 0.39
SIRT6 Q8N6T7 1/20 0.35

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
SCHEMBL29037689 1.00 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30504757 1.00 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15111402 0.81 MAPT (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16679354 0.77 MAPT (0.33) MAPT
SCHEMBL16679352 0.77 MAPT (0.33) MAPT
SCHEMBL20153734 0.77 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16465581 0.74 NNMT (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20153735 0.73 FDPS (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25402290 0.71 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31088740 0.71 TUBB4A (0.33) 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
CN-116462635-A Pyrazine-1 (2H) -2-oxo compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-07-21 CN disclosed