SCHEMBL7651729

SCHEMBL7651729

Cc1cc(C)nc(OC(C(=O)O)C(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.51
EDNRA P25101 12/20 0.51
NR1I2 O75469 1/20 0.51
KCNE1 P15382 1/20 0.51
KCNQ1 P51787 1/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 3/20 0.43

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
SCHEMBL9357632 0.82 EDNRB (0.50) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL9723564 0.79 EDNRB (0.48) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL15435730 0.79 EDNRB (0.51) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7652512 0.79 HTT (0.49) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL9367122 0.78 EDNRB (0.61) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL9723559 0.75 EDNRB (0.55) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL9874421 0.74 KMT2A (0.48) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7006265 0.72 KMT2A (0.53) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL9357252 0.72 SMN1; SMN2 (0.49) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL12871107 0.72 POLB (0.39) EDNRBEDNRANR1I2KCNE1KCNQ1

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
US-6482947-B1 Substituted (hetero) aryl compounds, process for their preparation, agents containing them and their use as safeners HOECHST AKTIENGESELLSCHAFT (DE) 2002-11-19 US claimed