SCHEMBL10694908

SCHEMBL10694908

CS(=O)(=O)OCc1cccc([N+](=O)[O-])c1OS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.37
HTT P42858 1/20 0.37
MAOB P27338 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
GPR35 Q9HC97 1/20 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
SCHEMBL1089020 0.83 ALDH1A1 (0.51) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL28595101 0.83 TDP1 (0.50) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL3843256 0.82 TDP1 (0.53) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL17445282 0.81 TDP1 (0.40) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL5711756 0.79 TDP1 (0.46) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL5702520 0.77 ALDH1A1 (0.47) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL11567676 0.76 TDP1 (0.43) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL8178850 0.74 ALDH1A1 (0.53) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL10510863 0.74 ERN1 (0.51) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL5659597 0.73 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMEN1KMT2A

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-0261073-A2 Insecticidal and acaricidal alkane and alkoxy alkane derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1988-03-23 EP disclosed