SCHEMBL6894899

SCHEMBL6894899

Cn1c(S(=O)(=O)O)nc2ccccc21.O=S(=O)(O)CCO

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
TSHR P16473 2/20 0.56
ALDH1A1 P00352 2/20 0.54
HTT P42858 1/20 0.54
CYP2C19 P33261 3/20 0.51
CYP2C9 P11712 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP1A2 P05177 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ATM Q13315 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL1275146 0.89 POLB (0.64) POLBTSHRALDH1A1HTTCYP2C19
SCHEMBL9695987 0.75 CYP1A2 (0.58) POLBTSHRALDH1A1HTTCYP2C19
SCHEMBL23718184 0.74 TSHR (0.84) POLBTSHRALDH1A1HTTCYP2C19
SCHEMBL1520616 0.73 POLB (1.00) POLBTSHRALDH1A1HTTCYP2C19
SCHEMBL7568029 0.71 ALDH1A1 (0.49) POLBTSHRALDH1A1HTTCYP2C19
SCHEMBL16213836 0.70 TSHR (0.65) POLBTSHRALDH1A1HTTCYP2C19
SCHEMBL4590439 0.70 POLB (0.59) POLBTSHRALDH1A1HTTCYP2C19
SCHEMBL2942696 0.70 POLB (0.59) POLBTSHRALDH1A1HTTCYP2C19
Naphthalene SCHEMBL27729148 0.70 LMNA (0.40) POLBTSHRALDH1A1HTTCYP2C19
SCHEMBL16332691 0.70 ATM (0.49) POLBTSHRALDH1A1HTTCYP2C19

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
EP-1428284-A2 HYDROPHILIC POLYMERS AND THEIR USE IN ELECTROCHEMICAL CELLS ITM Power Ltd. (GB) 2004-06-16 EP disclosed
WO-2003023890-A2 HYDROPHILIC POLYMERS AND THEIR USE IN ELECTROCHEMICAL CELLS ITM POWER LTD. (GB) 2003-03-20 WO disclosed