SCHEMBL20726632

SCHEMBL20726632

O=C(NNc1ccccc1F)c1ccc(=O)[nH]c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.63
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.47
EPHX2 P34913 2/20 0.45
GFER P55789 1/20 0.45
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 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
SCHEMBL7608124 0.78 GAA (1.00) GAARAB9ANPC1GFERPOLB
SCHEMBL28871831 0.73 GAA (0.76) GAARAB9ANPC1L3MBTL1GFER
SCHEMBL16672404 0.72 GAA (0.60) GAARAB9ANPC1L3MBTL1GFER
SCHEMBL20984862 0.70 GAA (0.67) GAARAB9ANPC1GFERPOLB
SCHEMBL31006493 0.70 GAA (0.69) GAARAB9ANPC1L3MBTL1POLB
SCHEMBL28871770 0.70 GAA (0.69) GAARAB9ANPC1L3MBTL1POLB
SCHEMBL3370719 0.69 POLB (0.59) RAB9ANPC1L3MBTL1EPHX2POLB
SCHEMBL6918970 0.69 L3MBTL1 (0.53) GAARAB9AL3MBTL1EPHX2POLB
SCHEMBL3229167 0.69 GAA (0.68) GAARAB9ANPC1L3MBTL1GFER
SCHEMBL11704238 0.68 ALDH1A1 (0.56) RAB9ANPC1L3MBTL1EPHX2LMNA

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