SCHEMBL25439645

SCHEMBL25439645

Cc1cc(C)c(N=CCc2cccc(CC=Nc3c(C)cc(C)cc3Cl)n2)c(Cl)c1.Cl[Fe](Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
BACE1 P56817 2/20 0.32

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
SCHEMBL16653951 0.96 NOS1 (0.35) NOS1NOS2BACE1
SCHEMBL23535362 0.95 NOS1 (0.34) NOS1NOS2BACE1
SCHEMBL14830125 0.95 NOS1 (0.34) NOS1NOS2BACE1
Hydrochloric Acid SCHEMBL3671010 0.93 NOS1 (0.33) NOS1NOS2BACE1
SCHEMBL20703459 0.92 NOS1 (0.35) NOS1NOS2BACE1
SCHEMBL4968598 0.90 NOS1 (0.31) NOS1NOS2
SCHEMBL4970674 0.88 RAPGEF4 (0.34) NOS1NOS2
SCHEMBL4969625 0.87 MEN1 (0.30)
SCHEMBL812525 0.86 NOS1 (0.39) NOS1NOS2BACE1
Hydrochloric Acid SCHEMBL811296 0.83 NOS1 (0.37) NOS1NOS2

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
EP-4225816-A1 SUPPORTED CATALYST SYSTEMS AND PROCESSES FOR USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2023-08-16 EP disclosed