SCHEMBL29110319

SCHEMBL29110319

COC(=O)c1ccc(C(F)(F)F)nc1Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
SDHB P21912 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL29110282 0.86 KDM4E (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL849309 0.86 SYK (0.44) MAPTGSK3AGSK3BTAS2R14NPC1
SCHEMBL30721208 0.86 DHODH (0.53) MAPTGSK3AGSK3BTAS2R14NPC1
SCHEMBL12984259 0.86 DHODH (0.53) MAPTGSK3AGSK3BTAS2R14NPC1
SCHEMBL12983920 0.84 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22093021 0.83 MAPK8 (0.51) TAS2R14SYKLMNAMAPK8MAPK9
SCHEMBL17668102 0.83 GAA (0.46) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29417547 0.83 NPC1 (0.43) MAPTGSK3AGSK3BTAS2R14NPC1
SCHEMBL14575828 0.83 NPC1 (0.43) MAPTGSK3AGSK3BTAS2R14NPC1
SCHEMBL2437507 0.81 TUBB4A (0.52) MAPTTUBB4ATUBBTUBA3CTUBA1B

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-116903613-A 2-oxo quinazoline five-membered heterocyclic derivative, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-10-20 CN disclosed