SCHEMBL20161498

SCHEMBL20161498

O=[N+]([O-])c1ccccc1SNCCNCCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 4/20 0.45
GAA P10253 3/20 0.45
LMNA P02545 2/20 0.44
ALPG P10696 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDE7A Q13946 1/20 0.39
KAT2B Q92831 2/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL24326253 0.82 MAPT (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL31545915 0.76 MAPT (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2897385 0.76 MAPT (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2905084 0.76 MAPT (0.57) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8645091 0.76 NPC1 (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2905085 0.76 MAPT (0.57) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8654854 0.74 KAT2B (0.66) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL8647822 0.73 KAT2B (0.60) ALDH1A1MAPTMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL8645147 0.73 KAT2B (0.67) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL20390494 0.73 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2AKDM4E

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
WO-2018089261-A2 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed