Sugi Predict

Sugi Predict / Compounds / SCHEMBL9852450

SCHEMBL9852450

SCHEMBL9852450

O=[C]C1=NOc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.42
▸ MAOB P27338 2/20 0.42
▸ CYP1A2 P05177 1/20 0.31
▸ ACSL1 P33121 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ CES1 P23141 1/20 0.31

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
SCHEMBL2596898 0.81 MAOA (0.42) MAOAMAOB
SCHEMBL3074959 0.78 MAOA (0.50) MAOAMAOBCYP1A2
SCHEMBL2075820 0.75 MAOA (0.46) MAOAMAOBCYP1A2
SCHEMBL574574 0.72 MAOA (0.48) MAOAMAOBCYP1A2
SCHEMBL2596888 0.72 NPC1 (0.44) MAOAMAOB
SCHEMBL753043 0.71 MAOA (0.39) MAOAMAOB
SCHEMBL3235013 0.71 MAOA (0.46) MAOAMAOBCYP1A2
SCHEMBL1491183 0.71 MAOA (0.46) MAOAMAOBCYP1A2
SCHEMBL15284925 0.71 MAOA (0.46) MAOAMAOBCYP1A2
SCHEMBL584704 0.71 MAOA (0.46) MAOAMAOBCYP1A2

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
EP-0446748-A2 Use of perylenedyes for the preparation of write, print or copying materials RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1991-09-18 — — EP claimed
EP-0446748-A2 Use of perylenedyes for the preparation of write, print or copying materials RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1991-09-18 — — EP disclosed