SCHEMBL4453469

SCHEMBL4453469

CCN(N=Cc1ccc(-c2ccccc2Cl)o1)C(N)=S

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
MAPK1 P28482 3/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 8/20 0.48
LMNA P02545 7/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
ALOX12 P18054 1/20 0.48
NPFFR1 Q9GZQ6 3/20 0.48
NPFFR2 Q9Y5X5 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RCE1 Q9Y256 1/20 0.43
POLB P06746 3/20 0.42

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
SCHEMBL4336074 0.87 KDM4E (0.47) KDM4EMAPK1HSD17B10MAPTLMNA
SCHEMBL4336070 0.87 KDM4E (0.47) KDM4EMAPK1HSD17B10MAPTLMNA
SCHEMBL4457837 0.84 KDM4E (0.51) KDM4EMAPK1HSD17B10MAPTLMNA
SCHEMBL4455856 0.81 KMT2A (0.60) KDM4EMAPK1HSD17B10MAPTLMNA
SCHEMBL4323303 0.80 KDM4E (0.42) KDM4EMAPK1HSD17B10MAPTLMNA
SCHEMBL4455963 0.80 KDM4E (0.51) KDM4EMAPK1HSD17B10MAPTLMNA
SCHEMBL4329435 0.76 MAPT (0.58) KDM4EMAPK1HSD17B10MAPTLMNA
SCHEMBL4324521 0.74 MAPT (0.81) KDM4EMAPK1MAPTLMNAMEN1
SCHEMBL4324519 0.74 MAPT (0.81) KDM4EMAPK1MAPTLMNAMEN1
SCHEMBL4341378 0.74 MAPT (0.48) KDM4EMAPK1MAPTLMNAMEN1

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