SCHEMBL28129197

SCHEMBL28129197

[CH2]Cc1cc(Cl)c(O)c(I)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.36
TSHR P16473 5/20 0.36
CYP3A4 P08684 4/20 0.36
TTR P02766 2/20 0.36
RECQL P46063 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 4/20 0.33
HPGD P15428 4/20 0.33
MAPK1 P28482 3/20 0.33
ALOX15 P16050 3/20 0.33
ALOX12 P18054 3/20 0.33
CYP2C19 P33261 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HIF1A Q16665 3/20 0.33
THRB P10828 3/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
LMNA P02545 2/20 0.33
HSP90AA1 P07900 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL6103705 0.84 TTR (0.50) HSD17B10CYP3A4TTRALDH1A1CYP1A2
SCHEMBL15515932 0.77 IDO1 (0.32) CYP3A4
SCHEMBL28129730 0.75 CHEK1 (0.46) HSD17B10TSHRCYP3A4TTRRECQL
SCHEMBL7643075 0.75 THRB (0.57) HSD17B10TSHRTTRCYP1A2HPGD
SCHEMBL13185474 0.75 AKR1C2 (0.43) HSD17B10TSHRCYP3A4TTRRECQL
SCHEMBL7932590 0.70 TTR (0.65) HSD17B10TSHRCYP3A4TTRRECQL
SCHEMBL422660 0.70 HSD17B10 (0.65) HSD17B10TSHRCYP3A4TTRRECQL
SCHEMBL7637293 0.70 HSP90AB1 (0.54) TSHRALDH1A1THRBLMNAMAPT
SCHEMBL5085456 0.70 IDO1 (0.37) CYP3A4
SCHEMBL5085475 0.70 IDO1 (0.37) CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106432229-B One kind is used for the compound for treating or preventing hyperuricemia or gout 江苏新元素医药科技有限公司 2018-01-12 CN claimed
CN-106432229-A Compounds for treating or preventing hyperuricemia or gout 江苏新元素医药科技有限公司 2017-02-22 CN claimed
CN-106432229-B One kind is used for the compound for treating or preventing hyperuricemia or gout 江苏新元素医药科技有限公司 2018-01-12 CN disclosed
CN-106432229-A Compounds for treating or preventing hyperuricemia or gout 江苏新元素医药科技有限公司 2017-02-22 CN disclosed