SCHEMBL20121933

SCHEMBL20121933

O=C1NCCC1N1CCNC1=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
PKM P14618 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
TSHR P16473 1/20 0.33
NPY5R Q15761 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL20812484 0.81 CRBN (0.47) ALDH1A1TSHR
SCHEMBL16199876 0.81 ALDH1A1 (0.42) KDM4EALDH1A1PKMRXFP1NPY5R
SCHEMBL16521967 0.78 KDM4E (0.48) KDM4EALDH1A1PKML3MBTL1RXFP1
SCHEMBL12923194 0.78 KDM4E (0.48) KDM4EALDH1A1PKML3MBTL1RXFP1
SCHEMBL29129023 0.75 KDM4E (0.46) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL2457243 0.73 KDM4E (0.41) KDM4EALDH1A1L3MBTL1
SCHEMBL14244119 0.73
SCHEMBL18444888 0.72 KDM4E (0.52) KDM4EALDH1A1PKML3MBTL1RXFP1
SCHEMBL2301305 0.71 ALDH1A1 (0.71) KDM4EALDH1A1L3MBTL1TSHRGAA
SCHEMBL17977106 0.71 KDM4E (0.66) KDM4EALDH1A1L3MBTL1

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-9963435-B2 Compounds for therapeutic use DART NEUROSCIENCE, LLC (US) 2018-05-08 US disclosed