SCHEMBL11250658

SCHEMBL11250658

CC(C)(C)NC(=O)NC(=N)Nc1ccc(Cl)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.60
AR P10275 2/20 0.51
SLC2A1 P11166 1/20 0.44
ANO1 Q5XXA6 1/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 1/20 0.43
PYGL P06737 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
APEX1 P27695 1/20 0.41
KDR P35968 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL11252801 0.89 HTT (0.77) HTTSLC2A1MEN1KMT2ANPC1
SCHEMBL11055632 0.89 HTT (0.59) HTTSLC2A1POLBMEN1KMT2A
SCHEMBL11249445 0.87 HTT (0.57) HTTARPOLBMEN1KMT2A
SCHEMBL11248846 0.85 HTT (0.52) HTTARSLC2A1POLBMEN1
SCHEMBL11053290 0.85 HTT (0.52) HTTARSLC2A1ANO1POLB
SCHEMBL11257942 0.84 HTT (0.58) HTTARPOLBMEN1KMT2A
SCHEMBL11261746 0.84 HTT (0.50) HTTARMEN1KMT2AMAPK1
SCHEMBL11244605 0.84 HTT (0.50) HTTARANO1MEN1KMT2A
SCHEMBL11255985 0.84 HTT (0.50) HTTARANO1MEN1KMT2A
SCHEMBL11258017 0.83 IMPDH2 (0.50) HTTPOLBMEN1KMT2APYGL

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
US-4326074-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed