SCHEMBL20726657

SCHEMBL20726657

Cc1cc(F)cc(NNC(=O)c2cc(C)c(=O)n(C)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
BRD4 O60885 11/20 0.36
BRD9 Q9H8M2 1/20 0.36
GAA P10253 4/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL16672358 0.80 GAA (0.37) BRD4GAAMAPTPOLBSMN1; SMN2
SCHEMBL20726653 0.79 PTGS2 (0.53) BRD4GAAMAPTSMN1; SMN2PTGS2
SCHEMBL20726622 0.79 MAP2K1 (0.46) HDAC3HDAC1HDAC2HDAC6BRD4
SCHEMBL20726643 0.78 GAA (0.49) BRD4BRD9GAAMAPTPOLB
SCHEMBL16672412 0.74 CREBBP (0.49) HDAC3HDAC1HDAC2HDAC6GAA
SCHEMBL16672372 0.72 MAPT (0.45) GAAMAPTPOLBSMN1; SMN2PTGS2
SCHEMBL20726641 0.71 LMNA (0.45) BRD4MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL16672399 0.71 GAA (0.48) HDAC3HDAC1HDAC2HDAC6BRD4
SCHEMBL20726674 0.68 CREBBP (0.45) HDAC3HDAC1HDAC2HDAC6GAA
SCHEMBL20726634 0.67 GAA (0.56) GAAMAPTPOLBSMN1; SMN2PTGS2

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-3060549-B1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAE WOONG PHARMA (KR) 2019-02-13 EP disclosed