SCHEMBL9280690

SCHEMBL9280690

Cc1cc(-c2cc(C)c(N)c(C)c2S(=O)(=O)O)c(S(=O)(=O)O)c(C)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
SENP2 Q9HC62 3/20 0.36
SENP1 Q9P0U3 3/20 0.36
SUMO2 P61956 2/20 0.36
SUMO1 P63165 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP3 Q9H4L4 2/20 0.36
POLB P06746 3/20 0.35
TP53 P04637 4/20 0.34
TDP1 Q9NUW8 3/20 0.34
CYP3A4 P08684 3/20 0.34
TSHR P16473 2/20 0.34
DAPK1 P53355 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33

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
SCHEMBL8627896 0.86 RAPGEF4 (0.38) ALDH1A1KDM4ESENP2SENP1SUMO2
SCHEMBL10426712 0.78 TP53 (0.39) ALDH1A1KDM4ESENP2SENP1SUMO2
SCHEMBL2032295 0.78 SENP2 (0.40) ALDH1A1KDM4ESENP2SENP1SUMO2
SCHEMBL8217255 0.78 LMNA (0.40) ALDH1A1KDM4ESENP2SENP1SUMO2
Sulfuric Acid SCHEMBL8642015 0.76 ALDH1A1 (0.42) ALDH1A1KDM4ESENP2SENP1SUMO2
SCHEMBL27971817 0.76 ALDH1A1 (0.37) ALDH1A1KDM4ESENP2SENP1SUMO2
SCHEMBL28066593 0.75 F2 (0.37) ALDH1A1KDM4ESENP2SENP1SUMO2
SCHEMBL9558566 0.74 CYP3A4 (0.35) ALDH1A1KDM4ESENP2SENP1SUMO2
SCHEMBL4350640 0.73 ALDH1A1 (0.34) ALDH1A1KDM4ESENP2SENP1SUMO2
SCHEMBL1271356 0.73 ALDH1A1 (0.34) ALDH1A1KDM4ESENP2SENP1SUMO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5426172-A Semipermeable membranes CIBA-GEIGY CORPORATION (US) 1995-06-20 US disclosed
US-5322922-A Used fo rprotective layers or relief images CIBA-GEIGY CORPORATION (US) 1994-06-21 US disclosed
US-5198119-A Semipermeable Membranes CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed