SCHEMBL8042295

SCHEMBL8042295

Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.81
NPC1 O15118 6/20 0.81
MAPT P10636 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
KMT2A Q03164 7/20 0.65
MEN1 O00255 6/20 0.65
POLB P06746 2/20 0.62
TP53 P04637 1/20 0.61
TDP1 Q9NUW8 1/20 0.59
HTT P42858 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
NAMPT P43490 1/20 0.58
USP2 O75604 1/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
MCL1 Q07820 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL1753199 1.00 RAB9A (0.81) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL21798720 0.90 KMT2A (0.76) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL3679372 0.90 KMT2A (0.76) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL15214321 0.90 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL12310125 0.90 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL14580374 0.90 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL822378 0.90 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL12310445 0.88 TP53 (0.69) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL676148 0.87 RAB9A (0.85) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL24426120 0.85 KMT2A (0.65) RAB9ANPC1MAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751123-B1 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS (JP) 2000-05-10 EP claimed
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 claimed
EP-0751123-A2 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-01-02 EP 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
CN-111302967-A Preparation method of N-aryl amide compound 广东石油化工学院 2020-06-19 CN disclosed
EP-1799663-B1 Modulators of HCV replication ANGELETTI P IST RICHERCHE BIO (IT) 2012-08-01 EP disclosed
EP-0751123-B1 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS (JP) 2000-05-10 EP disclosed
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-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