SCHEMBL20161208

SCHEMBL20161208

CCc1ccc(Cl)cc1CNc1ccc(NC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
MAPT P10636 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
STAT3 P40763 2/20 0.42
IDH1 O75874 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
SLC6A4 P31645 2/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL20161206 0.82 IDH1 (0.46) CA12CA1CA2CA9MAPT
SCHEMBL8145201 0.79 SLC6A4 (0.56) SLC6A4HTR2AKCNH2SLC6A2
SCHEMBL13185639 0.75 MEN1 (0.54) MAPTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3782085 0.74 IDO1 (0.44) MAPTMEN1KMT2ASLC6A4HTR2A
SCHEMBL11512030 0.72 MEN1 (0.53) CA12CA1CA2CA9MAPT
SCHEMBL11510338 0.72 MAPT (0.57) CA12CA1CA2CA9MAPT
SCHEMBL13754370 0.70 GAA (0.46) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL13846533 0.68 HTR2A (0.46) HTR2A
SCHEMBL13167601 0.68 MEN1 (0.53) MAPTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL855529 0.68 MAPT (0.50) MAPTL3MBTL1MEN1KMT2AALDH1A1

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-2018089651-A1 PHENYL AND PYRIDINYL HYDROXAMIC ACIDS ACETYLON PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed