SCHEMBL10965404

SCHEMBL10965404

CN(CCNCc1ccccc1)S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOA P21397 1/20 0.47
CHRM2 P08172 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
SIGMAR1 Q99720 4/20 0.44
TMEM97 Q5BJF2 1/20 0.44
CD274 Q9NZQ7 1/20 0.43
TSHR P16473 1/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
DRD4 P21917 2/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL133622 0.78 MEN1 (0.64) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL13184564 0.77 TAAR1 (0.57) SIGMAR1TSHR
Ammonia Solution, Strong SCHEMBL16268586 0.77 MEN1 (0.61) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL1829643 0.76 MEN1 (0.55) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL4502698 0.74 MEN1 (0.70) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL8851564 0.74 KMT2A (0.57) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL6422921 0.74 KMT2A (0.63) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL8749866 0.74 MEN1 (0.57) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL8944637 0.74 SIGMAR1 (0.68) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL1833549 0.73 MEN1 (0.52) MEN1KMT2ATDP1MAOACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4524073-A β-Lactam compounds BEECHAM GROUP P.1.C. (GB) 1985-06-18 US disclosed
EP-0101199-A1 Beta-lactam compounds BEECHAM GROUP PLC (GB) 1984-02-22 EP disclosed