SCHEMBL8487108

SCHEMBL8487108

Cc1c(C)c2c(c(C)c1OCc1ccccc1)C(CN(C)CC[O])C(C)(C)O2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 3/20 0.34
KCNQ1 P51787 3/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PTPN1 P18031 1/20 0.31
POLB P06746 1/20 0.31
BCHE P06276 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31
IDO1 P14902 1/20 0.30
LTB4R Q15722 2/20 0.30
LTB4R2 Q9NPC1 2/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL6966585 0.90 KCNE1 (0.32) KCNE1KCNQ1LMNAGAABCHE
SCHEMBL6980167 0.90 KCNE1 (0.34) KCNE1KCNQ1LMNAGAAPTPN1
SCHEMBL6981132 0.84 RAB9A (0.39) KCNE1KCNQ1GAAMAPTL3MBTL1
SCHEMBL6968430 0.84 MCHR1 (0.37) KCNE1KCNQ1MAOB
SCHEMBL6968820 0.83 KCNH2 (0.44) LMNAMAPTMAPK1MAOB
SCHEMBL979035 0.80 KCNE1 (0.38) KCNE1KCNQ1LMNAGAAPTPN1
SCHEMBL8868743 0.80 KCNE1 (0.38) KCNE1KCNQ1LMNAGAAPTPN1
SCHEMBL8867575 0.80 KCNE1 (0.38) KCNE1KCNQ1LMNAGAAPTPN1
SCHEMBL6969588 0.79 PPARG (0.47) MAPTTDP1
SCHEMBL6976223 0.79 PPARG (0.37) LMNAL3MBTL1MAOBLTB4RLTB4R2

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-5925656-A CONTAINING A 2,4-DIOXOTRIAZOLIDINE RING DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-07-20 US disclosed