SCHEMBL4455852

SCHEMBL4455852

CCSNC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.66
KMT2A Q03164 5/20 0.66
MEN1 O00255 3/20 0.66
MAPT P10636 10/20 0.59
ALDH1A1 P00352 6/20 0.59
NPSR1 Q6W5P4 2/20 0.59
HTT P42858 1/20 0.59
POLB P06746 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 1/20 0.56
BLM P54132 1/20 0.56
KDM4E B2RXH2 5/20 0.55
PHGDH O43175 2/20 0.54
CA1 P00915 1/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49

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
SCHEMBL4453436 0.88 HPGD (0.70) HPGDKMT2AMEN1MAPTALDH1A1
SCHEMBL4455962 0.87 MAPT (0.68) HPGDKMT2AMEN1MAPTALDH1A1
SCHEMBL4453467 0.82 MAPT (0.65) HPGDKMT2AMEN1MAPTALDH1A1
SCHEMBL4343474 0.80 KDM4E (0.68) HPGDKMT2AMEN1MAPTALDH1A1
SCHEMBL13886982 0.77 PHGDH (0.77) HPGDKMT2AMEN1MAPTALDH1A1
SCHEMBL4455860 0.77 PHGDH (0.77) HPGDKMT2AMEN1MAPTALDH1A1
SCHEMBL28369669 0.76 PHGDH (0.69) HPGDKMT2AMEN1MAPTALDH1A1
SCHEMBL28373194 0.76 PHGDH (0.81) HPGDKMT2AMEN1MAPTALDH1A1
SCHEMBL28373192 0.76 PHGDH (0.81) HPGDKMT2AMEN1MAPTALDH1A1
SCHEMBL28369671 0.76 PHGDH (0.69) HPGDKMT2AMEN1MAPTALDH1A1

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
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed