SCHEMBL29495807

SCHEMBL29495807

CC(=NN)c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
PLK1 P53350 1/20 0.47
MMP3 P08254 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
POLB P06746 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
AGTR1 P30556 1/20 0.43
PTPN1 P18031 1/20 0.43
CDC25B P30305 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
PTK2B Q14289 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GMNN O75496 2/20 0.41

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
SCHEMBL6247557 0.82 CASP3 (0.55) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL22422804 0.82 NR4A1 (0.50) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL30173208 0.82 CASP3 (0.55) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL17134284 0.82 CASP3 (0.55) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL10782350 0.81 NR4A1 (0.46) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL13351546 0.81 NR4A1 (0.46) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL25370110 0.79 FURIN (0.50) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL28437338 0.77 NR4A1 (0.55) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL16373451 0.77 NR4A1 (0.50) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL3255960 0.76 NR4A1 (0.58) NR4A1NR4A2NR4A3PLK1MMP3

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-2022072975-A1 COMPOSITIONS AND METHODS OF TREATMENT FOR SARS-COV-2 THROUGH PAPAIN PROTEASE INHIBITION UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2022-04-07 WO disclosed