SCHEMBL4457837

SCHEMBL4457837

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
MAPT P10636 6/20 0.51
LMNA P02545 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
ALOX12 P18054 1/20 0.51
MAPK1 P28482 3/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPFFR1 Q9GZQ6 4/20 0.48
NPFFR2 Q9Y5X5 4/20 0.48
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RCE1 Q9Y256 1/20 0.46
POLB P06746 2/20 0.43

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
SCHEMBL4453469 0.84 KDM4E (0.49) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL4459311 0.82 MAPT (0.59) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL4336070 0.81 KDM4E (0.47) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL4336074 0.81 KDM4E (0.47) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL4462859 0.80 PRMT5 (0.54) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL6445038 0.79 KMT2A (0.63) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL4453437 0.79 KMT2A (0.63) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL4324519 0.77 MAPT (0.81) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL4324521 0.77 MAPT (0.81) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL4323303 0.74 KDM4E (0.42) KDM4EMAPTLMNAMEN1KMT2A

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