SCHEMBL9017891

SCHEMBL9017891

NC(=O)Nc1cnccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.49
HDAC2 Q92769 6/20 0.49
HDAC3 O15379 5/20 0.49
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
KDM4C Q9H3R0 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4D Q6B0I6 3/20 0.44
KDM4E B2RXH2 2/20 0.44
KDM6B O15054 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KDM4A O75164 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
HDAC4 P56524 2/20 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
SCHEMBL9413722 0.86 KDM4C (0.46) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL14357917 0.83 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC8HDAC6
Hydrochloric Acid SCHEMBL29373586 0.81 HDAC1 (0.45) HDAC1HDAC2HDAC3HDAC8HDAC6
Hydrochloric Acid SCHEMBL5749683 0.81 HDAC1 (0.45) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL14439746 0.81 KDM4D (0.68) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL6988265 0.81 CYP1A2 (0.41) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL23463919 0.80 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL15432248 0.80 KDM4E (0.51) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL27684513 0.79 SIRT3 (0.55) KDM4CALDH1A1KDM4DMAPTTDP1
Hydrochloric Acid SCHEMBL9426022 0.79 CYP1A2 (0.40) HDAC1HDAC2HDAC3HDAC8HDAC6

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
EP-0477903-B1 Substituted-4-amino-3-pyridinols, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-04-03 EP disclosed