SCHEMBL8627588

SCHEMBL8627588

CSc1ccccc1C(=O)Nc1ccccc1.O=c1c2ccccc2sn1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMM2 O15305 6/20 0.54
MPI P34949 6/20 0.54
PHOSPHO1 Q8TCT1 5/20 0.54
G6PD P11413 4/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
APOBEC3G Q9HC16 3/20 0.54
CASP3 P42574 3/20 0.54
KDM4E B2RXH2 2/20 0.54
PKM P14618 2/20 0.54
HPGD P15428 2/20 0.54
ALOX12 P18054 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
HSP90AA1 P07900 1/20 0.54
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
TLR9 Q9NR96 1/20 0.50
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48

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
SCHEMBL8624189 0.91 RAB9A (0.59) PMM2MPIPHOSPHO1G6PDALDH1A1
SCHEMBL1807677 0.78 KMT2A (0.72) ALDH1A1MAPTHPGDTDP1KMT2A
SCHEMBL8626369 0.76 TSHR (0.45) G6PDALDH1A1MAPTPKMNPSR1
SCHEMBL30562926 0.74 MPI (1.00) PMM2MPIPHOSPHO1G6PDALDH1A1
SCHEMBL1898397 0.74 MPI (1.00) PMM2MPIPHOSPHO1G6PDALDH1A1
SCHEMBL30738364 0.72 MPI (0.96) PMM2MPIPHOSPHO1G6PDALDH1A1
SCHEMBL8626699 0.72 KMT2A (0.45) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8622722 0.71 ALDH1A1 (0.55) ALDH1A1MAPTCASP3PKMHPGD
SCHEMBL24327539 0.70 G6PD (0.60) PMM2MPIPHOSPHO1G6PDALDH1A1
SCHEMBL8865527 0.70 KMT2A (0.41) ALDH1A1MAPTPKMHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744609-A REACTING AN ALKYLTHIOBENZAMIDE WITH A HALOGEN IN A HETEROGENOUS SOLVENT TO GIVE ALKYLSULFURYLBENZAMIDES INTERMEDIATES; USEFUL ANTIBACTERIAL AND ANTIFUNGAL AGENT SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-04-28 US disclosed
US-5672751-A TREATMENT OF A HALOBENZAMIDE WITH AN ALKANETHIOL IN THE PRESENCE OF A PHASE TRANSFER CATALYST SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-09-30 US disclosed
US-5508416-A HALOGENATING A 2-(ALKYLTHIO)BENZAMIDE, CYCLIZATION TO HETERO RING AND N-S LINKAGE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-04-16 US disclosed