SCHEMBL28038375

SCHEMBL28038375

Cc1nc2ccccc2c(-c2ccccc2)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
GAA P10253 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
GPR3 P46089 1/20 0.55
PDE10A Q9Y233 1/20 0.53
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CASP3 P42574 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
NUDT1 P36639 1/20 0.50
ADRA2A P08913 1/20 0.47
ADORA2A P29274 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL19219068 0.86 MAPT (0.47) MAPTGAANPSR1SMN1; SMN2GPR3
SCHEMBL5434073 0.86 MAPT (0.60) MAPTGAANPSR1SMN1; SMN2GPR3
SCHEMBL18754495 0.84 GPR3 (0.55) MAPTGAANPSR1SMN1; SMN2GPR3
Ammonia Solution, Strong SCHEMBL28019425 0.82 GPR3 (0.53) MAPTGAANPSR1SMN1; SMN2GPR3
SCHEMBL13758058 0.82 PDE10A (0.60) MAPTGAANPSR1SMN1; SMN2PDE10A
SCHEMBL31109173 0.81 HSD17B10 (0.56) MAPTGAANPSR1SMN1; SMN2GPR3
SCHEMBL4263725 0.81 MAPT (0.47) MAPTGAANPSR1SMN1; SMN2LMNA
SCHEMBL28142598 0.81 MAPT (0.55) MAPTGAANPSR1SMN1; SMN2GPR3
SCHEMBL31109178 0.81 MAPT (0.59) MAPTGAANPSR1SMN1; SMN2GPR3
SCHEMBL20792611 0.81 HTT (0.55) MAPTGAANPSR1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105198806-A Method for synthesizing quinoline by aromatic amine and diketone UNIV NANYANG NORMAL 2015-12-30 CN disclosed
CN-105175328-A Method for synthesizing quinoline derivative by utilizing arylamine, aromatic aldehyde and ketone UNIV NANYANG NORMAL 2015-12-23 CN disclosed