SCHEMBL8370760

SCHEMBL8370760

Cc1ccc(-n2sc3ccccc3c2=O)cc1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 17/20 0.69
PMM2 O15305 15/20 0.69
PHOSPHO1 Q8TCT1 15/20 0.69
G6PD P11413 5/20 0.69
APOBEC3G Q9HC16 4/20 0.69
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 3/20 0.69
MAPT P10636 3/20 0.69
PKM P14618 3/20 0.69
HPGD P15428 3/20 0.69
ALOX12 P18054 3/20 0.69
TDP1 Q9NUW8 3/20 0.69
CASP3 P42574 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
RAB9A P51151 2/20 0.69
NPC1 O15118 1/20 0.69
TP53 P04637 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
KDM5B Q9UGL1 1/20 0.69
HSP90AA1 P07900 1/20 0.63

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
SCHEMBL25763324 0.83 MPI (0.89) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL2443755 0.82 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL29910151 0.82 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL2413025 0.81 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL8371772 0.81 MPI (0.77) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL12230483 0.79 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL8373516 0.79 MPI (0.74) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL8369477 0.78 PHOSPHO1 (0.76) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL30562926 0.78 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL1898397 0.78 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G

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
WO-2022081984-A1 METHODS AND COMPOUNDS TO TREAT SARS INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 WO disclosed
EP-0644243-B1 Anti-fouling compositions or fouling control of harmful aquatic oranisms SUMITOMO CHEMICAL CO (JP) 1999-01-27 EP disclosed