SCHEMBL27782858

SCHEMBL27782858

O=c1[nH]c2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 2/20 0.69
MAPT P10636 3/20 0.63
HCRTR1 O43613 1/20 0.62
PKM P14618 1/20 0.62
PARP1 P09874 2/20 0.60
CSF1R P07333 2/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CTSV O60911 1/20 0.53
CTSL P07711 1/20 0.53
MAPK1 P28482 2/20 0.53
ROCK2 O75116 1/20 0.53
MAP4K4 O95819 1/20 0.53
LCK P06239 1/20 0.53
PIM1 P11309 1/20 0.53
RPS6KB1 P23443 1/20 0.53
CDK2 P24941 1/20 0.53
EPHA2 P29317 1/20 0.53
FLT3 P36888 1/20 0.53
FRK P42685 1/20 0.53

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
SCHEMBL4460872 0.90 FASN (0.73) FASNMAPTHCRTR1PKMPARP1
SCHEMBL32665949 0.85 FASN (0.70) FASNMAPTHCRTR1PKMPARP1
SCHEMBL27785104 0.84 FASN (0.69) FASNMAPTHCRTR1PKMPARP1
SCHEMBL27783828 0.84 FASN (0.69) FASNMAPTHCRTR1PKMPARP1
SCHEMBL4469573 0.82 FASN (1.00) FASNMAPTHCRTR1PKMPARP1
SCHEMBL31061146 0.82 FASN (1.00) FASNMAPTHCRTR1PKMPARP1
SCHEMBL18092657 0.81 MAPT (0.81) FASNMAPTHCRTR1PKMPARP1
SCHEMBL29392327 0.80 MAPT (0.68) FASNMAPTHCRTR1PKMPARP1
SCHEMBL19857710 0.80 MAPT (0.68) FASNMAPTHCRTR1PKMPARP1
SCHEMBL3944802 0.77 MAPT (1.00) FASNMAPTPKMPARP1CSF1R

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 6 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-101747268-B Method for synthesizing 4-substituted-3-bromo-2-quinolone UNIV SOUTHWEST 2011-07-20 CN disclosed
CN-101747267-B Method for synthesizing 4-substituted-3-chlorine-2-carbostyril UNIV SOUTHWEST 2011-07-13 CN disclosed
CN-101747268-A Method for synthesizing 4-substituted-3-bromo-2-quinolone UNIV SOUTHWEST 2010-06-23 CN disclosed
CN-101747267-A Method for synthesizing 4-substituted-3-chlorine-2-carbostyril UNIV SOUTHWEST 2010-06-23 CN disclosed