SCHEMBL4459311

SCHEMBL4459311

CN(N=Cc1ccc(-c2ccccc2)o1)C(N)=S

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
LMNA P02545 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 3/20 0.59
HPGD P15428 2/20 0.55
GFER P55789 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 3/20 0.50
ALOX12 P18054 1/20 0.50
TNNI3 P19429 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.45
MAPK1 P28482 3/20 0.44
ALOX5 P09917 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL4462859 0.86 PRMT5 (0.54) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL4326934 0.82 KDM4E (0.60) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL4457837 0.82 KDM4E (0.51) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL6445038 0.81 KMT2A (0.63) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL4453437 0.81 KMT2A (0.63) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL4327103 0.74 MAPT (1.00) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL4327099 0.74 MAPT (1.00) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL4338798 0.72 CYP2A6 (0.48) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL3649775 0.72 HPGD (1.00) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL3649780 0.72 HPGD (1.00) MAPTLMNAMEN1KMT2AKDM4E

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