SCHEMBL20259607

SCHEMBL20259607

C=C(C(=O)OCC)c1ccc(NI)nc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
HCAR3 P49019 9/20 0.42
HCAR2 Q8TDS4 2/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.39
DGAT1 O75907 1/20 0.39
HPGD P15428 1/20 0.39
NNMT P40261 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 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
SCHEMBL8663801 0.82 HDAC1 (0.49) MAPTKDM4ERAB9AALDH1A1DGAT1
SCHEMBL17595785 0.80 ALDH1A1 (0.43) NPSR1HCAR3HCAR2MAPTKDM4E
SCHEMBL8662091 0.78 DGAT1 (0.60) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL5059081 0.77 MAPT (0.55) NPSR1MAPTRAB9AALDH1A1HPGD
SCHEMBL5643285 0.72 ALDH1A1 (0.47) MAPTALDH1A1
SCHEMBL5086187 0.72 ALDH1A1 (0.50) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL27929947 0.72 HCAR2 (0.46) HCAR2MAPTKDM4EALDH1A1GAA
SCHEMBL10878020 0.71 PARP10 (0.56) NPSR1MAPTKDM4ERAB9ANPC1
SCHEMBL6783785 0.71 L3MBTL1 (0.52) HCAR3HCAR2MAPTKDM4EALDH1A1
SCHEMBL29640466 0.71 L3MBTL1 (0.52) HCAR3HCAR2MAPTKDM4EALDH1A1

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-2018106818-A1 METHODS OF PROMOTING BETA CELL PROLIFERATION KURA ONCOLOGY, INC. (US) 2018-06-14 WO disclosed