SCHEMBL6313740

SCHEMBL6313740

Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)O)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
PPARG P37231 1/20 0.47
ENPP2 Q13822 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ENPP3 O14638 3/20 0.43
ENPP1 P22413 3/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 2/20 0.42
CYP2D6 P10635 2/20 0.42

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
SCHEMBL547500 0.91 TDP1 (0.50) ALDH1A1LMNAPPARGENPP2MEN1
SCHEMBL382761 0.89 TDP1 (0.47) ALDH1A1LMNAPPARGENPP2MEN1
SCHEMBL5709631 0.87 TDP1 (0.46) ALDH1A1LMNAPPARGENPP2MEN1
SCHEMBL383459 0.87 MEN1 (0.56) ALDH1A1LMNAPPARGENPP2MEN1
SCHEMBL7133265 0.87 SMN1; SMN2 (0.54) ALDH1A1LMNATDP1HTTSMN1; SMN2
SCHEMBL3955400 0.87 SMN1; SMN2 (0.54) ALDH1A1LMNATDP1HTTSMN1; SMN2
SCHEMBL4072539 0.85 MEN1 (0.55) ALDH1A1LMNAPPARGENPP2MEN1
SCHEMBL2284308 0.85 MEN1 (0.51) ALDH1A1LMNAPPARGENPP2MEN1
SCHEMBL2065834 0.82 TDP1 (0.65) ALDH1A1LMNAENPP2MEN1KMT2A
SCHEMBL1047078 0.81 TDP1 (0.49) ALDH1A1LMNAPPARGENPP2MEN1

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-6861198-B2 Negative resist material and pattern formation method using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-03-01 US disclosed
US-20040023151-A1 Negative resist material and pattern formation method using the same SHIN-ETSU CHEMICAL CO., LTD. 2004-02-05 US disclosed