SCHEMBL14615686

SCHEMBL14615686

CC(C)n1c(=O)n(C)c2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPD P32754 2/20 0.45
MAPT P10636 4/20 0.44
THRB P10828 1/20 0.44
DRD2 P14416 1/20 0.44
SLC6A4 P31645 1/20 0.44
BRPF1 P55201 2/20 0.42
BRD4 O60885 1/20 0.42
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
PSMB8 P28062 1/20 0.40
TP53 P04637 1/20 0.39
NTRK1 P04629 1/20 0.38

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
SCHEMBL14615685 0.93 HPD (0.51) MAPK14LMNAL3MBTL1HPDMAPT
SCHEMBL4197942 0.81 LMNA (0.57) LMNAL3MBTL1MAPTDRD2SLC6A4
SCHEMBL25446875 0.81 MAPK14 (0.47) MAPK14HPDMAPTBRPF1BRD4
SCHEMBL13322666 0.79 MAPK14 (0.59) MAPK14HPDMAPTTHRBBRPF1
SCHEMBL14615683 0.79 CHEK1 (0.42) LMNAL3MBTL1HPDMAPTTHRB
SCHEMBL13140197 0.76 HPD (0.54) LMNAL3MBTL1HPDMAPTTHRB
SCHEMBL12139324 0.76 SLC6A2 (0.50) LMNAHPDBRPF1BRD4ALDH1A1
SCHEMBL30049030 0.76 SLC22A12 (0.57) MAPK14HPDBRPF1BRD4HPGD
SCHEMBL24815336 0.76 SLC22A12 (0.57) MAPK14HPDBRPF1BRD4HPGD
SCHEMBL27446315 0.76 MAPK14 (0.43) MAPK14HPDMAPTBRPF1BRD4

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-2007022257-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-02-22 WO disclosed