SCHEMBL10875952

SCHEMBL10875952

Cn1c(Cl)c(F)c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
CYP3A4 P08684 1/20 0.50
LGMN Q99538 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2B P29275 1/20 0.50
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL3940708 0.77 HPGD (0.64) HPGDCYP3A4LGMNADORA3ADORA2B
SCHEMBL17595002 0.76 LGMN (0.40) LGMNADORA2BPOLBKMT2AGSK3A
SCHEMBL23974602 0.73 LGMN (0.58) HPGDCYP3A4LGMNADORA3ADORA2B
SCHEMBL19555085 0.73 MAPK8 (0.66) ADORA3ADORA2BMAPT
SCHEMBL25827062 0.71 CYP3A4 (0.69) HPGDCYP3A4LGMNADORA3ADORA2B
SCHEMBL8985073 0.71 GSK3B (0.67) HPGDCYP3A4PKMSMN1; SMN2MEN1
SCHEMBL4227686 0.71 MAPK8 (0.49) HPGDCYP3A4LGMNADORA3ADORA2B
SCHEMBL25210999 0.71 ALDH1A1 (0.76) HPGDPKMSMN1; SMN2RAB9AMEN1
SCHEMBL38658744 0.70 KMT2A (0.56) HPGDCYP3A4LGMNADORA3ADORA2B
SCHEMBL23974605 0.70 HPGD (0.57) HPGDCYP3A4LGMNADORA2BSMN1; SMN2

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
JP-61145167-A None JP disclosed
JP-S61145167-A 1,3-DISUBSTITUTED-5-FLUORO-6-CHLOROURACIL DERIVATIVE AND ANTITUMOR AGENT SAGAMI CHEM RES CENTER 1986-07-02 JP disclosed