SCHEMBL28679306

SCHEMBL28679306

O=[N+]([O-])c1ccc2[nH]cc(Sc3ccc(Cl)cc3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.62
TUBB P07437 3/20 0.62
TUBA3C P0DPH7 3/20 0.62
TUBA1B P68363 3/20 0.62
TUBA4A P68366 3/20 0.62
TUBB4B P68371 3/20 0.62
TUBB3 Q13509 3/20 0.62
TUBB2A Q13885 3/20 0.62
TUBB8 Q3ZCM7 3/20 0.62
TUBA3E Q6PEY2 3/20 0.62
TUBA1A Q71U36 3/20 0.62
TUBA1C Q9BQE3 3/20 0.62
TUBB6 Q9BUF5 3/20 0.62
TUBB2B Q9BVA1 3/20 0.62
TUBB1 Q9H4B7 3/20 0.62
IDO1 P14902 7/20 0.54
PDE7A Q13946 6/20 0.48
PDE7B Q9NP56 2/20 0.45
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45

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
SCHEMBL30091348 0.84 IDO1 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28920505 0.84 IDO1 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28666567 0.81 IDO1 (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11611676 0.77 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5809696 0.77 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28395421 0.76 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22802307 0.76 IDO1 (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28961606 0.76 IDO1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28061063 0.76 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1149232 0.76 PDE7A (0.78) PDE7APDE7BPDE4BPDE4DMEN1

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-113816884-B Synthetic method of arylthio naphthol, naphthylamine compound and thiophenyl indole compound 南开大学 2022-05-17 CN disclosed
CN-113816884-A Synthetic method of arylthio naphthol, naphthylamine compound and thiophenyl indole compound 南开大学 2021-12-21 CN disclosed