SCHEMBL30043508

SCHEMBL30043508

Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 10/20 1.00
NPC1 O15118 4/20 1.00
RAB9A P51151 4/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
S100A4 P26447 4/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
APAF1 O14727 3/20 1.00
LMNA P02545 3/20 1.00
HTT P42858 3/20 1.00
GALK1 P51570 3/20 1.00
BLM P54132 3/20 1.00
NPSR1 Q6W5P4 3/20 1.00
ALDH1A1 P00352 2/20 1.00
TDP2 O95551 2/20 1.00
PLA2G1B P04054 2/20 1.00
POLB P06746 2/20 1.00
PLCG1 P19174 2/20 1.00
PPARG P37231 2/20 1.00
ATG4B Q9Y4P1 2/20 1.00

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
SCHEMBL2599178 1.00 PTPRC (1.00) PTPRCNPC1RAB9ASMN1; SMN2S100A4
SCHEMBL30482647 0.95 NPC1 (0.95) PTPRCNPC1RAB9ASMN1; SMN2S100A4
SCHEMBL760965 0.95 NPC1 (0.95) PTPRCNPC1RAB9ASMN1; SMN2S100A4
SCHEMBL6262683 0.95 PTPRC (1.00) PTPRCNPC1RAB9ASMN1; SMN2S100A4
SCHEMBL31615519 0.95 NPC1 (0.95) PTPRCNPC1RAB9ASMN1; SMN2S100A4
Anthraquinone SCHEMBL23363689 0.93 NPC1 (1.00) PTPRCNPC1RAB9ASMN1; SMN2S100A4
SCHEMBL40960 0.93 NPC1 (1.00) PTPRCNPC1RAB9ASMN1; SMN2S100A4
SCHEMBL31290097 0.93 NPC1 (1.00) PTPRCNPC1RAB9ASMN1; SMN2S100A4
SCHEMBL1143226 0.91 PTPRC (0.91) PTPRCNPC1RAB9ASMN1; SMN2S100A4
Benzene SCHEMBL28832927 0.91 NPC1 (0.95) PTPRCNPC1RAB9ASMN1; SMN2S100A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023285654-A2 COMPOUNDS FOR THE TREATMENT OF COVID-19 DOMPE' FARMACEUTICI SPA (IT) 2023-01-19 WO claimed
EP-4119145-A1 COMPOUNDS FOR THE TREATMENT OF COVID-19 Dompe' Farmaceutici S.P.A. (IT) 2023-01-18 EP claimed
CN-114981999-A Surface modified carbon based electrode for electrochemical capacitors EEXION能源有限公司 2022-08-30 CN claimed
WO-2023187599-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR THE TREATMENT OF VIRAL DISEASES DIDENKO KIRILL (MX) 2023-10-05 WO disclosed
EP-4119145-A1 COMPOUNDS FOR THE TREATMENT OF COVID-19 Dompe' Farmaceutici S.P.A. (IT) 2023-01-18 EP disclosed
CN-114981999-A Surface modified carbon based electrode for electrochemical capacitors EEXION能源有限公司 2022-08-30 CN disclosed