SCHEMBL29968544

SCHEMBL29968544

NNC(=O)c1cccnc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
POLB P06746 1/20 0.58
KDR P35968 3/20 0.58
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 1/20 0.57
TUBB2A Q13885 1/20 0.57
TUBB8 Q3ZCM7 1/20 0.57
TUBA3E Q6PEY2 1/20 0.57
TUBA1A Q71U36 1/20 0.57
TUBA1C Q9BQE3 1/20 0.57
TUBB6 Q9BUF5 1/20 0.57
TUBB2B Q9BVA1 1/20 0.57
TUBB1 Q9H4B7 1/20 0.57
DHODH Q02127 5/20 0.55
MEN1 O00255 5/20 0.55

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
SCHEMBL23388895 1.00 LMNA (0.58) LMNAPOLBKDRTUBB4ATUBB
SCHEMBL29898324 0.86 MAPT (0.68) LMNAPOLBKDRTUBB4ATUBB
SCHEMBL23423252 0.86 MAPT (0.68) LMNAPOLBKDRTUBB4ATUBB
SCHEMBL5953848 0.86 LMNA (0.78) LMNAPOLBTUBB4ATUBBTUBA3C
SCHEMBL23388857 0.85 DHODH (0.74) LMNAPOLBKDRTUBB4ATUBB
SCHEMBL5217337 0.83 MEN1 (0.75) LMNAPOLBKDRDHODHMEN1
SCHEMBL25246835 0.82 DHODH (0.62) LMNAPOLBKDRTUBB4ATUBB
SCHEMBL30476156 0.82 DHODH (0.62) LMNAPOLBKDRTUBB4ATUBB
SCHEMBL23388818 0.82 MEN1 (0.53) LMNAPOLBKDRTUBB4ATUBB
SCHEMBL29888247 0.82 MEN1 (0.53) LMNAPOLBKDRTUBB4ATUBB

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-115279368-B Heteroaryl compounds 维瓦斯治疗公司 2024-05-24 CN disclosed
CN-115279368-A Heteroaryl compounds 维瓦斯治疗公司 2022-11-01 CN disclosed