SCHEMBL3459504

SCHEMBL3459504

N=C(N)NC(=N)NC1=CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL329921 0.85 HDAC4 (0.34) HDAC4HDAC2HDAC8HDAC6
SCHEMBL11812421 0.74 CTSK (0.34) HDAC4HDAC2HDAC8HDAC6
SCHEMBL6833727 0.73 ALDH1A1 (0.34) HDAC4HDAC2HDAC8HDAC6
SCHEMBL16619760 0.73 HDAC2 (0.42) HDAC4HDAC2HDAC8HDAC6
SCHEMBL11813012 0.71 EPHX2 (0.41)
Hydrochloric Acid SCHEMBL11686399 0.70 PKM (0.35)
Hydrochloric Acid SCHEMBL11687011 0.69 SMN1; SMN2 (0.35)
SCHEMBL5432204 0.69 NPC1 (0.55) HDAC4HDAC2HDAC8HDAC6
SCHEMBL15128553 0.68 HDAC2 (0.59) HDAC4HDAC2HDAC8HDAC6
SCHEMBL5932189 0.67 HDAC2 (0.44) HDAC4HDAC2HDAC8HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222433-A1 Composite Disinfectant Cleaner XUE JIALU 2010-09-02 US claimed
CN-104159460-A Tow band product with higher denier per filament and lower total denier CELANESE ACETATE LLC 2014-11-19 CN disclosed
US-20100222433-A1 Composite Disinfectant Cleaner XUE JIALU 2010-09-02 US disclosed