SCHEMBL27782857

SCHEMBL27782857

O=c1[nH]c2ccccc2c(-c2ccccc2)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
PDE9A O76083 1/20 0.59
ESR1 P03372 3/20 0.56
ESR2 Q92731 3/20 0.56
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
EGFR P00533 1/20 0.51
MAPK1 P28482 2/20 0.51
ROCK2 O75116 1/20 0.51
MAP4K4 O95819 1/20 0.51
LCK P06239 1/20 0.51
CSF1R P07333 1/20 0.51
PIM1 P11309 1/20 0.51
RPS6KB1 P23443 1/20 0.51
CDK2 P24941 1/20 0.51
EPHA2 P29317 1/20 0.51
FLT3 P36888 1/20 0.51
FRK P42685 1/20 0.51
CLK2 P49760 1/20 0.51

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
SCHEMBL1239816 0.86 MAPT (0.65) MAPTPDE9AESR1ESR2KDM4E
SCHEMBL28132803 0.83 MAPT (0.71) MAPTPDE9AESR1ESR2KDM4E
SCHEMBL5528637 0.79 KDM4E (0.59) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL29709937 0.79 MAPT (0.75) MAPTPDE9AESR1ESR2KDM4E
SCHEMBL5396117 0.79 MAPT (0.75) MAPTPDE9AESR1ESR2KDM4E
SCHEMBL27785106 0.79 MAPT (0.60) MAPTPDE9AESR1ESR2KDM4E
SCHEMBL27783904 0.79 MAPT (0.60) MAPTPDE9AESR1ESR2KDM4E
SCHEMBL8987076 0.79 MAPT (0.60) MAPTPDE9AESR1ESR2KDM4E
SCHEMBL31179077 0.79 MAPK1 (0.68) MAPTPDE9AESR1ESR2KDM4E
SCHEMBL6545945 0.79 MAPK1 (0.68) MAPTPDE9AESR1ESR2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101747267-B Method for synthesizing 4-substituted-3-chlorine-2-carbostyril UNIV SOUTHWEST 2011-07-13 CN claimed
CN-101747267-A Method for synthesizing 4-substituted-3-chlorine-2-carbostyril UNIV SOUTHWEST 2010-06-23 CN claimed
CN-101747267-B Method for synthesizing 4-substituted-3-chlorine-2-carbostyril UNIV SOUTHWEST 2011-07-13 CN disclosed
CN-101747267-A Method for synthesizing 4-substituted-3-chlorine-2-carbostyril UNIV SOUTHWEST 2010-06-23 CN disclosed