SCHEMBL29442885

SCHEMBL29442885

O=C(Nc1ccc(CO)nc1)c1ncccc1Cc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.46
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
LRRK2 Q5S007 2/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CXCR1 P25024 3/20 0.39
CXCR2 P25025 3/20 0.39
NR3C2 P08235 1/20 0.39
KCNQ5 Q9NR82 1/20 0.38
TP53 P04637 1/20 0.38
GRM4 Q14833 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
SCHEMBL21395237 0.80 SNCA (0.48) SGMS2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL29442785 0.80 SNCA (0.48) SGMS2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL29442876 0.74 NR3C2 (0.44) MEN1KMT2ANR3C2
SCHEMBL30862009 0.73 KCNH2 (0.48) RAB9ANPC1NR3C2
SCHEMBL28117989 0.73 PARP1 (0.47) ALDH1A1KDM4EMAPTL3MBTL1NR3C2
SCHEMBL18160598 0.69 DYRK1A (0.65)
SCHEMBL21394908 0.69 RAB9A (0.52) SGMS2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL21394624 0.69 NPC1 (0.48) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL29358776 0.69 NPC1 (0.48) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL21394709 0.68 KCNQ3 (0.46) SGMS2KCNQ3KCNQ2KCNE1KCNQ1

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
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed