SCHEMBL9816019

SCHEMBL9816019

C=CCc1ccccc1N=S=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
GAA P10253 5/20 0.35
AKR1B1 P15121 1/20 0.34
KMT2A Q03164 10/20 0.34
MEN1 O00255 9/20 0.34
KDM4E B2RXH2 6/20 0.34
MAPT P10636 5/20 0.34
LMNA P02545 4/20 0.34
HTT P42858 4/20 0.34
ALOX12 P18054 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL28246060 0.79 GABRA1 (0.42) GABRA1GABRB2GAAKMT2AMEN1
SCHEMBL11555510 0.78 GABRA1 (0.45) GABRA1GABRB2GAAAKR1B1KMT2A
SCHEMBL28638704 0.76 GABRA1 (0.43) GABRA1GABRB2GAAMAPTALDH1A1
SCHEMBL14321847 0.76 GABRA1 (0.44) GABRA1GABRB2GAAAKR1B1KMT2A
SCHEMBL3646580 0.76 GABRA1 (0.40) GABRA1GABRB2GAAAKR1B1KMT2A
SCHEMBL7775721 0.75 GABRA1 (0.42) GABRA1GABRB2GAAAKR1B1KMT2A
SCHEMBL3806685 0.75 GABRA1 (0.42) GABRA1GABRB2GAAAKR1B1KMT2A
SCHEMBL8969560 0.75 ALDH1A1 (0.38) KMT2AALDH1A1
SCHEMBL8156871 0.74 CYP3A4 (0.42) GABRA1GABRB2GAAKMT2AMEN1
SCHEMBL3257656 0.73 GABRA1 (0.41) GABRA1GABRB2GAAAKR1B1KMT2A

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
JP-3130255-A None JP disclosed
JP-H03130255-A ANILINE DERIVATIVE AND ANTI-INFLAMMATORY DRUG CONTAINING THE SAME DERIVATIVE AS ACTIVE INGREDIENT KIRIN BREWERY CO LTD 1991-06-04 JP disclosed
US-4163659-A HERBICIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1979-08-07 US disclosed
US-4076519-A N-substituted perfluoroalkanesulfonamides as herbicides MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1978-02-28 US disclosed
US-3890340-A Preparation of 2,1-benzisothiazoles CHEVRON RESEARCH COMPANY, SAN FRANCISCO, CA. A CORP. OF DE. 1975-06-17 US disclosed