SCHEMBL30480593

SCHEMBL30480593

COC(=O)c1ccc(C(F)(F)F)nc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.56
TUBB P07437 2/20 0.56
TUBA3C P0DPH7 2/20 0.56
TUBA1B P68363 2/20 0.56
TUBA4A P68366 2/20 0.56
TUBB4B P68371 2/20 0.56
TUBB3 Q13509 2/20 0.56
TUBB2A Q13885 2/20 0.56
TUBB8 Q3ZCM7 2/20 0.56
TUBA3E Q6PEY2 2/20 0.56
TUBA1A Q71U36 2/20 0.56
TUBA1C Q9BQE3 2/20 0.56
TUBB6 Q9BUF5 2/20 0.56
TUBB2B Q9BVA1 2/20 0.56
TUBB1 Q9H4B7 2/20 0.56
CFTR P13569 1/20 0.45
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
PDE4A P27815 5/20 0.44
PDE4B Q07343 5/20 0.44

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
SCHEMBL2435522 1.00 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28950739 0.84 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3878179 0.83 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9588785 0.83 KDM4E (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9264129 0.82 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10667889 0.82 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4195184 0.82 LMNA (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19616100 0.81 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27644815 0.81 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL124080 0.81 TUBB4A (0.53) 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
WO-2023118092-A1 PYRAZOLO[1,5-A]PYRIDO[3,2-E]PYRIMIDINES AND PYRAZOLO[1,5-A][1,3]THIAZOLO[5,4-E]PYRIMIDINES AS P2X3 INHIBITORS FOR THE TREATMENT OF NEUROGENIC DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 WO disclosed