SCHEMBL4455963

SCHEMBL4455963

CCN(N=Cc1ccc(-c2cccc(Cl)c2)o1)C(N)=S

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
HPGD P15428 7/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 11/20 0.50
ALDH1A1 P00352 9/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
GAA P10253 4/20 0.50
NPSR1 Q6W5P4 4/20 0.50
HTT P42858 3/20 0.50
PKM P14618 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 2/20 0.50
GLA P06280 1/20 0.50
LMNA P02545 3/20 0.46
ALOX12 P18054 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSP90AA1 P07900 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL4341464 0.88 MAPT (0.49) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL4341461 0.88 MAPT (0.49) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL4455856 0.85 KMT2A (0.60) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL4343477 0.84 KDM4E (0.57) KDM4EHPGDMAPTALDH1A1MEN1
SCHEMBL4334594 0.81 MAPT (0.46) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL4329481 0.80 KDM4E (0.44) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL4329090 0.80 ALDH1A1 (0.52) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL4334744 0.80 ALDH1A1 (0.52) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL4453469 0.80 KDM4E (0.49) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL4461761 0.79 MAPT (0.49) KDM4EHPGDHSD17B10MAPTALDH1A1

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