SCHEMBL28126558

SCHEMBL28126558

O=C(O)c1cc2cccnc2n(-c2nccs2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
AKR1C3 P42330 1/20 0.42
AHR P35869 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR1 P21554 4/20 0.41
HSD17B10 Q99714 2/20 0.40
MET P08581 1/20 0.38
CNR2 P34972 2/20 0.38
GAA P10253 2/20 0.38
S1PR4 O95977 1/20 0.38
GLA P06280 1/20 0.38
S1PR1 P21453 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 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
SCHEMBL1375742 0.81 MET (0.52) AHRALDH1A1KMT2ACNR1MET
Hydrochloric Acid SCHEMBL1373870 0.80 MET (0.51) AHRALDH1A1KMT2ACNR1MET
SCHEMBL3516336 0.77 AHR (0.44) KDM4EMAPTAHRALDH1A1NPSR1
SCHEMBL27631474 0.76 LMNA (0.44) KDM4EMAPTAHRALDH1A1NPSR1
SCHEMBL1372639 0.76 AHR (0.62) KDM4EMAPTAHRALDH1A1NPSR1
Hydrochloric Acid SCHEMBL1373594 0.75 AHR (0.60) KDM4EMAPTAHRALDH1A1NPSR1
SCHEMBL1374787 0.73 AHR (0.42) KDM4EMAPTPOLBAHRALDH1A1
SCHEMBL15603760 0.72 HTR3A (0.56) KDM4EMAPTPOLBALDH1A1GAA
SCHEMBL4938909 0.72 HTR3A (0.51) KDM4EMAPTPOLBAKR1C3ALDH1A1
Hydrochloric Acid SCHEMBL1373665 0.72 AHR (0.41) KDM4EMAPTPOLBAHRALDH1A1

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-104027333-B Compounds And Compositions For Treatment Of Cancer 逊尼希思制药公司 2017-05-17 CN disclosed