SCHEMBL8371734

SCHEMBL8371734

O=c1c2ccccc2sn1-c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 12/20 0.74
PMM2 O15305 10/20 0.74
PHOSPHO1 Q8TCT1 9/20 0.74
G6PD P11413 5/20 0.74
APOBEC3G Q9HC16 3/20 0.74
KDM4E B2RXH2 2/20 0.74
ALDH1A1 P00352 2/20 0.74
MAPT P10636 2/20 0.74
PKM P14618 2/20 0.74
HPGD P15428 2/20 0.74
ALOX12 P18054 2/20 0.74
CASP3 P42574 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
HSP90AA1 P07900 1/20 0.74
RAB9A P51151 2/20 0.71
NPC1 O15118 1/20 0.71
TP53 P04637 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
KDM5B Q9UGL1 1/20 0.71

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
SCHEMBL30562926 0.85 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL1898397 0.85 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL30738364 0.84 MPI (0.96) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL2537846 0.83 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL1894451 0.83 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL1900552 0.83 MPI (0.74) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL21033372 0.83 MPI (0.74) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL2443755 0.83 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL29910151 0.83 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL8373516 0.83 MPI (0.74) 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 5 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
US-5507862-A PROTECTIVE COATINGS CONTAINING SUBSTITUTED N-PHENYLISOTHIAZOLONES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-16 US disclosed
EP-0051193-B1 THE USE OF N-HALOGENOPHENYL-BENZISOTHIAZOLES A. Nattermann & Cie. GmbH (DE) 1986-02-26 EP disclosed
US-4397858-A ANTIARTHRITIC, ANTIINFLAMMATORY A. NATTERMANN & CIE GMBH (DE) 1983-08-09 US disclosed