SCHEMBL8623283

SCHEMBL8623283

COc1ccc(NC(=O)c2ccccc2SC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 1.00
MEN1 O00255 4/20 1.00
ALDH1A1 P00352 2/20 1.00
RAB9A P51151 6/20 0.73
NPC1 O15118 5/20 0.73
HTT P42858 1/20 0.73
SMN1; SMN2 Q16637 6/20 0.72
GAA P10253 2/20 0.72
PKM P14618 1/20 0.66
MAPT P10636 1/20 0.66
HPGD P15428 1/20 0.65
METAP2 P50579 1/20 0.63
TSHR P16473 2/20 0.62
HSD17B10 Q99714 1/20 0.62
PNLIP P16233 1/20 0.62
POLB P06746 1/20 0.62
LMNA P02545 1/20 0.62
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL1807677 0.84 KMT2A (0.72) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL1896521 0.84 SMN1; SMN2 (1.00) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL8621916 0.83 RAB9A (0.71) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL6819851 0.82 SMN1; SMN2 (0.69) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL8622864 0.82 SMN1; SMN2 (0.69) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL6783493 0.81 KMT2A (0.68) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL3949532 0.80 KMT2A (0.78) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL10062017 0.80 NPC1 (1.00) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL5080078 0.80 PNLIP (0.91) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL12189549 0.80 NPC1 (0.72) KMT2AMEN1ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657438-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 1997-07-30 EP claimed
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 claimed
EP-0657438-A2 Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1995-06-14 EP claimed
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
EP-0657438-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 1997-07-30 EP disclosed
EP-0751123-A2 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-01-02 EP 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
EP-0657438-A2 Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1995-06-14 EP disclosed