SCHEMBL17844161

SCHEMBL17844161

CCCCn1sc(-c2ccccc2)c(NCC)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 6/20 0.38
ADORA2B P29275 1/20 0.38
TSHR P16473 1/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
RGS4 P49798 2/20 0.36
RGS8 P57771 1/20 0.36
GAA P10253 3/20 0.35
GLA P06280 2/20 0.35

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
SCHEMBL5186011 0.88 ALDH1A1 (0.48) FAAHMGLLMEN1KMT2AL3MBTL1
SCHEMBL5184388 0.88 FAAH (0.47) FAAHMGLLMEN1KMT2AL3MBTL1
SCHEMBL17844174 0.87 FAAH (0.40) FAAHMGLLMEN1KMT2AL3MBTL1
SCHEMBL17844220 0.86 FAAH (0.40) FAAHMGLLMEN1KMT2AL3MBTL1
SCHEMBL17844198 0.86 MEN1 (0.48) FAAHMGLLMEN1KMT2AALDH1A1
SCHEMBL17844070 0.86 FAAH (0.40) FAAHMGLLMEN1KMT2AL3MBTL1
SCHEMBL17844132 0.85 FAAH (0.39) FAAHMGLLMEN1KMT2AALDH1A1
SCHEMBL17844158 0.81 GAA (0.43) MEN1KMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL5185885 0.81 LMNA (0.43) MEN1KMT2ATDP1ALDH1A1HPGD
SCHEMBL5186704 0.81 FAAH (0.38) FAAHMGLLMEN1KMT2AALDH1A1

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed