SCHEMBL14534697

SCHEMBL14534697

CS(=O)(=O)c1cccc(N[SH](=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 2/20 0.46
ROCK1 Q13464 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
STK10 O94804 2/20 0.41
SLK Q9H2G2 2/20 0.41
CSNK2A1 P68400 1/20 0.41
IDO1 P14902 1/20 0.41
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
PTK2 Q05397 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GRK2 P25098 1/20 0.39

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
SCHEMBL27436806 0.81 CA2 (0.57) MEN1KMT2A
SCHEMBL2719549 0.79 TNNI3K (0.53) TNNI3KROCK1MEN1ALDH1A1KMT2A
SCHEMBL14419962 0.78 KEAP1 (0.53) ALDH1A1SMN1; SMN2JAK2
SCHEMBL3715900 0.78 CA12 (0.46) TNNI3KROCK1MEN1ALDH1A1KMT2A
SCHEMBL27852561 0.77 ROCK1 (0.51) TNNI3KROCK1MEN1ALDH1A1KMT2A
SCHEMBL27951626 0.77 TNNI3K (0.48) TNNI3KROCK1MEN1ALDH1A1KMT2A
SCHEMBL1117957 0.77 ROCK1 (0.51) TNNI3KROCK1MEN1ALDH1A1KMT2A
SCHEMBL31527842 0.76 ENPP2 (0.46) JAK2JAK3PTK2
SCHEMBL18893560 0.75 CA1 (0.43) TNNI3KROCK1MEN1ALDH1A1KMT2A
SCHEMBL10051059 0.75 CA1 (0.55) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7219988-B2 Water-soluble phthalocyanine compound-containing ink for ink jetting, ink jet recording method and method for improving ozone gas discoloration of colored image material FUJI PHOTO FILM CO., LTD. (JP) 2007-05-22 US disclosed