SCHEMBL7984627

SCHEMBL7984627

CCc1ccc(S(=O)(=O)OC2CC(O[Si](C)(C)C(C)(C)C)CN2c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
LMNA P02545 4/20 0.35
POLB P06746 1/20 0.35
HSD11B1 P28845 2/20 0.34
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
CTSB P07858 1/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
ALPG P10696 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL7968400 0.81 ALDH1A1 (0.37) ALDH1A1LMNAPOLBHSD11B1CTSL
SCHEMBL7968403 0.81 ALDH1A1 (0.37) ALDH1A1LMNAPOLBHSD11B1CTSL
SCHEMBL8134546 0.79 ALDH1A1 (0.36) ALDH1A1LMNAPOLBHSD11B1CTSL
SCHEMBL8134544 0.79 ALDH1A1 (0.36) ALDH1A1LMNAPOLBHSD11B1CTSL
SCHEMBL7982001 0.76 ALDH1A1 (0.36) ALDH1A1LMNAPOLBHSD11B1CTSL
SCHEMBL7968396 0.76 ALDH1A1 (0.36) ALDH1A1LMNAPOLBHSD11B1CTSL
SCHEMBL7981677 0.74 CTSL (0.39) ALDH1A1LMNAPOLBCTSLCTSS
SCHEMBL7968212 0.73 KMT2A (0.35) ALDH1A1LMNAPOLBHSD11B1CTSL
SCHEMBL7968216 0.73 KMT2A (0.35) ALDH1A1LMNAPOLBHSD11B1CTSL
SCHEMBL7984624 0.71 ALDH1A1 (0.36) ALDH1A1LMNAPOLBHSD11B1MAPT

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-6225306-B1 PYRROLO(1,2A)QUINOXALINES WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 2001-05-01 US disclosed
EP-0987266-A1 BIPHENYL DERIVATIVES AND MEDICINAL COMPOSITIONS Wakamoto Pharmaceutical Co., Ltd. (JP) 2000-03-22 EP disclosed