SCHEMBL17844220

SCHEMBL17844220

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA2B P29275 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HSF1 Q00613 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL17844174 0.89 FAAH (0.40) FAAHMGLLALDH1A1MEN1KMT2A
SCHEMBL17844161 0.86 FAAH (0.44) FAAHMGLLALDH1A1MEN1KMT2A
SCHEMBL5186011 0.83 ALDH1A1 (0.48) FAAHMGLLALDH1A1MEN1KMT2A
SCHEMBL5184388 0.83 FAAH (0.47) FAAHMGLLALDH1A1MEN1KMT2A
SCHEMBL17844070 0.81 FAAH (0.40) FAAHMGLLALDH1A1MEN1KMT2A
SCHEMBL17844198 0.81 MEN1 (0.48) FAAHMGLLALDH1A1MEN1KMT2A
SCHEMBL17844132 0.80 FAAH (0.39) FAAHMGLLALDH1A1MEN1KMT2A
SCHEMBL17844104 0.78 HCRTR1 (0.38) HPGD
SCHEMBL5606522 0.77 PLK1 (0.41) FAAHMGLLALDH1A1MEN1KMT2A
SCHEMBL17844158 0.77 GAA (0.43) ALDH1A1MEN1KMT2AL3MBTL1NPC1

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