SCHEMBL29856282

SCHEMBL29856282

CCc1c(C(=O)c2cc(Cl)c(O)c(Cl)c2)c2cccnc2n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.48
SLC22A6 Q4U2R8 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
ELANE P08246 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
TNKS O95271 1/20 0.38
RORC P51449 3/20 0.38
ALOX12 P18054 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX15B O15296 1/20 0.38
NR1I2 O75469 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL29856136 0.86 SLC22A12 (0.47) SLC22A12SLC22A6ABCG2ELANEEGFR
SCHEMBL29856238 0.83 SLC22A12 (0.43) SLC22A12ELANEEGFRSRCRORC
SCHEMBL29856265 0.80 SLC22A12 (0.47) SLC22A12SLC22A6ABCG2ELANEEGFR
SCHEMBL29856387 0.77 SLC22A12 (0.46) SLC22A12
SCHEMBL29856299 0.73 SMN1; SMN2 (0.49) EGFRALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL28560524 0.73 FEN1 (0.46) ELANEEGFRSRCKDM4EMEN1
SCHEMBL29856235 0.70 SLC22A12 (0.39) SLC22A12RORCCYP3A4
SCHEMBL29856141 0.68 SLC22A12 (0.39) SLC22A12SLC22A6ABCG2MEN1NR1I2
SCHEMBL21979475 0.67 EGFR (0.50) ELANEEGFRSRCTNKSRORC
SCHEMBL29302071 0.66 FEN1 (0.43) SLC22A12ELANEEGFRSRCTNKS

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-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed