SCHEMBL28087809

SCHEMBL28087809

O=C(O)c1cnc(Cl)nc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.39
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.36
PIN1 Q13526 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MAPT P10636 2/20 0.35
XPO1 O14980 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL12615369 0.81 SLC6A3 (0.38) POLBMAPTALDH1A1SMN1; SMN2JUN
SCHEMBL3822431 0.81 POLB (0.37) DHODHKMT2AHPGDPOLBKEAP1
SCHEMBL1015670 0.79 HSD11B1 (0.50) DHODHKMT2AHPGDPOLBKEAP1
SCHEMBL19627329 0.77 CSNK1D (0.45) DHODHKMT2AMEN1HPGDPOLB
SCHEMBL1014340 0.77 KDM4E (0.40) DHODHKMT2APOLBKEAP1NFE2L2
SCHEMBL1016549 0.76 KMT2A (0.37) DHODHKMT2AMEN1HPGDPOLB
SCHEMBL1014948 0.76 MEN1 (0.46) DHODHKMT2AMEN1POLBALDH1A1
SCHEMBL8140882 0.76 KDM4E (0.39) DHODHKMT2AHPGDPOLBKEAP1
SCHEMBL1759984 0.76 PDE4B (0.40) DHODHKMT2APOLBKEAP1NFE2L2
SCHEMBL28073266 0.76 CSNK2A1 (0.39) DHODHSMN1; SMN2HSD11B1

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-104203950-B Liver x receptor modulators 生命医药公司 2016-08-24 CN disclosed