SCHEMBL13445345

SCHEMBL13445345

Bc1nnc(SCCC)n1-c1ccc(C2CC2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 17/20 0.53
CYP2C9 P11712 4/20 0.53
CYP2C19 P33261 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
SLC22A11 Q9NSA0 1/20 0.53
SLC2A9 Q9NRM0 2/20 0.44
DRD2 P14416 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
BRCA1 P38398 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4735941 0.86 SLC22A12 (0.53) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL4736204 0.86 SLC22A12 (0.70) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL13444910 0.84 SLC22A12 (0.52) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL13444978 0.82 SLC22A12 (0.77) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL12516448 0.81 SLC22A12 (0.60) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL13444878 0.80 SLC22A12 (0.61) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19565634 0.77 SLC22A12 (0.72) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL13444888 0.76 SLC22A12 (0.78) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL13444913 0.76 SLC22A12 (0.59) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL13813008 0.75 SLC22A12 (0.44) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2

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
WO-2010028190-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-03-11 WO disclosed