SCHEMBL4460428

SCHEMBL4460428

CN(C)CC/C(=N\N(C)C(N)=S)c1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.47
ALDH1A1 P00352 5/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 2/20 0.45
HPGD P15428 3/20 0.44
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
LMNA P02545 2/20 0.40
S1PR4 O95977 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4323034 0.85 SLC9A1 (0.41) SLC9A1ALDH1A1RAB9AMAPTNPC1
SCHEMBL4335877 0.82 LMNA (0.40) SLC9A1ALDH1A1RAB9AMAPTNPC1
SCHEMBL4338974 0.81 MAPT (0.40) SLC9A1ALDH1A1RAB9AMAPTNPC1
SCHEMBL4460430 0.80 MAPT (0.44) SLC9A1ALDH1A1RAB9AMAPTNPC1
SCHEMBL13611608 0.80 MAPT (0.44) SLC9A1ALDH1A1RAB9AMAPTNPC1
SCHEMBL1218954 0.76 SLC9A1 (0.53) SLC9A1ALDH1A1RAB9AMAPTNPC1
SCHEMBL4323030 0.75 ALDH1A1 (0.45) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4323041 0.75 ALDH1A1 (0.45) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4460422 0.74 S1PR4 (0.44) SLC9A1ALDH1A1RAB9AMAPTNPC1
SCHEMBL4335881 0.73 ALDH1A1 (0.46) ALDH1A1RAB9AMAPTNPC1SMN1; 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 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