SCHEMBL9813345

SCHEMBL9813345

O=S(=O)(O)c1ccc([N]Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 1/20 0.46
POLB P06746 2/20 0.42
CYP2D6 P10635 1/20 0.42
SENP2 Q9HC62 3/20 0.40
SUMO2 P61956 2/20 0.40
SUMO1 P63165 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
NT5E P21589 1/20 0.36
CASP6 P55212 3/20 0.35
ATIC P31939 1/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL14466255 0.76 POLB (0.49) TIMP3POLBCYP2D6SENP2SUMO2
SCHEMBL8981247 0.74 TIMP3 (0.51) TIMP3POLBMEN1KMT2ALMNA
SCHEMBL629603 0.74 PHLPP2 (0.38) POLBCYP2D6LMNAALDH1A1PHLPP2
SCHEMBL9813346 0.73 TIMP3 (0.51) TIMP3POLBMEN1KMT2ALMNA
SCHEMBL9680192 0.73 TIMP3 (0.50) TIMP3POLBMEN1KMT2ALMNA
SCHEMBL9329057 0.70 TIMP3 (0.48) TIMP3POLBMEN1KMT2ALMNA
SCHEMBL10699443 0.69 TIMP3 (0.47) TIMP3POLBMEN1KMT2ALMNA
SCHEMBL5409149 0.68 ALDH1A1 (0.48) TIMP3POLBCYP2D6MEN1KMT2A
SCHEMBL30084548 0.68 ALDH1A1 (0.48) TIMP3POLBCYP2D6MEN1KMT2A
SCHEMBL8507004 0.68 ALDH1A1 (0.50) POLBCYP2D6SENP2SUMO2SUMO1

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
EP-0114341-B1 DYE-CONTAINING LAYER IN A PHOTOPOLYMERISABLE COMPOSITION, AND PROCESS FOR OBTAINING RELIEF AND PRINTING FORMES BASF Aktiengesellschaft (DE) 1991-07-24 EP disclosed