SCHEMBL17875258

SCHEMBL17875258

BCC(=O)c1cc(Cl)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
KDM4C Q9H3R0 2/20 0.46
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
GRM5 P41594 2/20 0.39
GRM4 Q14833 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
AGTR1 P30556 1/20 0.38
KMO O15229 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL21437805 0.81 L3MBTL1 (0.54) L3MBTL1ALDH1A1MAPTKDM4CNPC1
SCHEMBL6888866 0.81 L3MBTL1 (0.54) L3MBTL1ALDH1A1MAPTKDM4CNPC1
SCHEMBL27911792 0.81 ALDH1A1 (0.63) L3MBTL1ALDH1A1MAPTKDM4CNPC1
SCHEMBL2537598 0.81 L3MBTL1 (0.54) L3MBTL1ALDH1A1MAPTKDM4CNPC1
SCHEMBL12019619 0.81 ALDH1A1 (0.54) L3MBTL1ALDH1A1MAPTKDM4CNPC1
Bromide SCHEMBL6170902 0.80 ALDH1A1 (0.53) L3MBTL1ALDH1A1MAPTKDM4CNPC1
SCHEMBL27715023 0.78 ALDH1A1 (0.58) L3MBTL1ALDH1A1MAPTKDM4CNPC1
SCHEMBL6887957 0.78 ALDH1A1 (0.46) L3MBTL1ALDH1A1MAPTKDM4CNPC1
SCHEMBL20746280 0.77 ALDH1A1 (0.54) L3MBTL1ALDH1A1MAPTKDM4CNPC1
SCHEMBL6889314 0.77 ALDH1A1 (0.54) L3MBTL1ALDH1A1MAPTKDM4CNPC1

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
EP-2483268-B1 PYRIDINYL-IMIDAZOLONE DERIVATIVES FOR INHIBITING PI3 KINASES MERCK PATENT GMBH (DE) 2016-06-29 EP disclosed