SCHEMBL9874096

SCHEMBL9874096

CC=NN(c1nc(C)cc(COC)n1)c1ccccc1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
FFAR1 O14842 10/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RECQL P46063 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9873216 0.85 MEN1 (0.35) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11500818 0.85 MEN1 (0.41) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL9871760 0.77 MEN1 (0.32) MEN1KMT2A
SCHEMBL9871785 0.75 MEN1 (0.34) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9044002 0.74 POLB (0.36) MEN1KMT2AFFAR1KDM4EHSD17B10
SCHEMBL9046268 0.73 MEN1 (0.36) MEN1KMT2AFFAR1KDM4EHSD17B10
SCHEMBL9874395 0.72
SCHEMBL9694466 0.68 FFAR1 (0.39) MEN1KMT2AFFAR1KDM4EHSD17B10
SCHEMBL9043196 0.68 FFAR1 (0.39) MEN1KMT2AFFAR1KDM4EHSD17B10
SCHEMBL9044724 0.67 FFAR1 (0.39) MEN1KMT2AFFAR1KDM4EHSD17B10

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-5010082-A Fungicides, microbiocides CIBA-GEIGY CORPORATION (US) 1991-04-23 US disclosed