SCHEMBL10876068

SCHEMBL10876068

O=c1c2ccccc2sn1-c1ccc(Cl)cc1.c1ccc2sncc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 10/20 0.72
PMM2 O15305 8/20 0.72
G6PD P11413 6/20 0.72
PHOSPHO1 Q8TCT1 9/20 0.55
APOBEC3G Q9HC16 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
PKM P14618 2/20 0.55
HPGD P15428 2/20 0.55
ALOX12 P18054 2/20 0.55
CASP3 P42574 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
HSP90AA1 P07900 1/20 0.55
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM5B Q9UGL1 1/20 0.53

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
SCHEMBL2537846 0.85 MPI (1.00) MPIPMM2G6PDPHOSPHO1APOBEC3G
SCHEMBL25763324 0.78 MPI (0.89) MPIPMM2G6PDPHOSPHO1APOBEC3G
SCHEMBL8371846 0.73 MPI (0.77) MPIPMM2G6PDPHOSPHO1APOBEC3G
SCHEMBL1898397 0.73 MPI (1.00) MPIPMM2G6PDPHOSPHO1APOBEC3G
SCHEMBL30562926 0.73 MPI (1.00) MPIPMM2G6PDPHOSPHO1APOBEC3G
SCHEMBL30738364 0.71 MPI (0.96) MPIPMM2G6PDPHOSPHO1APOBEC3G
SCHEMBL2539354 0.71 MPI (1.00) MPIPMM2G6PDPHOSPHO1APOBEC3G
SCHEMBL12230483 0.71 MPI (1.00) MPIPMM2G6PDPHOSPHO1APOBEC3G
SCHEMBL20350786 0.70 G6PD (0.61) MPIPMM2G6PDPHOSPHO1APOBEC3G
SCHEMBL1894451 0.70 MPI (1.00) MPIPMM2G6PDPHOSPHO1APOBEC3G

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
EP-0051193-B1 THE USE OF N-HALOGENOPHENYL-BENZISOTHIAZOLES A. Nattermann & Cie. GmbH (DE) 1986-02-26 EP claimed