SCHEMBL28347141

SCHEMBL28347141

Cc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1CCCC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.83
TSHR P16473 5/20 0.83
LMNA P02545 3/20 0.83
CREBBP Q92793 1/20 0.83
MAPK1 P28482 4/20 0.61
ALOX15 P16050 2/20 0.61
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
NR1I2 O75469 1/20 0.60
AHR P35869 1/20 0.60
POLB P06746 6/20 0.59
THRB P10828 2/20 0.57
KDM4E B2RXH2 5/20 0.51
CASP1 P29466 3/20 0.51
CASP7 P55210 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
GAA P10253 2/20 0.51
KLK7 P49862 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
SCHEMBL13889179 0.99 MAPT (0.81) MAPTTSHRLMNACREBBPMAPK1
SCHEMBL28344302 0.93 MAPT (0.72) MAPTTSHRLMNACREBBPMAPK1
SCHEMBL28344116 0.85 MAPT (0.65) MAPTTSHRLMNACREBBPMAPK1
SCHEMBL28347742 0.84 MAPT (0.64) MAPTTSHRLMNACREBBPMAPK1
SCHEMBL13888981 0.83 POLB (0.78) MAPTTSHRLMNACREBBPMAPK1
SCHEMBL9706173 0.80 MAPT (0.64) MAPTTSHRLMNACREBBPMAPK1
SCHEMBL13889175 0.78 POLB (0.75) MAPTTSHRLMNACREBBPMAPK1
SCHEMBL28344126 0.78 POLB (0.56) MAPTTSHRLMNACREBBPMAPK1
Dimethylamine SCHEMBL9706176 0.77 MAPT (0.67) MAPTTSHRLMNACREBBPMAPK1
SCHEMBL28344840 0.77 POLB (0.55) MAPTTSHRLMNACREBBPMAPK1

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
CN-110540541-A 6H-indolo [2,3-b ] quinoxaline compound and preparation method and application thereof UNIV GUANGXI NORMAL 2019-12-06 CN disclosed