SCHEMBL14516636

SCHEMBL14516636

CC(C)Sc1ccc(C(=O)O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.52
KCNQ2 O43526 1/20 0.52
KCNE1 P15382 1/20 0.52
KCNQ1 P51787 1/20 0.52
LMNA P02545 2/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
EGLN1 Q9GZT9 1/20 0.43
SLC22A12 Q96S37 1/20 0.39
SLC6A9 P48067 1/20 0.38
AR P10275 1/20 0.38
KDM4E B2RXH2 2/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TTR P02766 1/20 0.37
ACE2 Q9BYF1 1/20 0.37

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
SCHEMBL2593928 0.81 GRM1 (0.47) ARKDM4EHSD17B10TTRACE2
SCHEMBL8402587 0.80 LMNA (0.53) LMNARAB9AMAPK1HTTEGLN1
SCHEMBL9321426 0.77 TSHR (0.45) KDM4EHSD17B10ACE2CA12CA1
SCHEMBL15331499 0.77 KCNQ3 (0.41) KCNQ3KCNQ2KCNE1KCNQ1LMNA
SCHEMBL7439757 0.73 CA12 (0.59) LMNARAB9AMAPK1HTTKDM4E
SCHEMBL10896690 0.73 LMNA (0.46) LMNARAB9AMAPK1HTTSLC22A12
SCHEMBL2627846 0.73 ACE2 (0.56) LMNARAB9AMAPK1HTTKDM4E
SCHEMBL25465991 0.72 ALDH1A1 (0.47) KCNQ3KCNQ2LMNARAB9AMAPK1
SCHEMBL23896809 0.71 LMNA (0.51) LMNARAB9AMAPK1HTTKDM4E
SCHEMBL8102005 0.71 CA2 (0.55) LMNARAB9AMAPK1HTTSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205307-B2 Pyrimidines as novel openers of potassium ion channels ICAGEN, INC. (US) 2007-04-17 US disclosed
US-7205307-B2 Pyrimidines as novel openers of potassium ion channels ICAGEN, INC. (US) 2007-04-17 US disclosed