SCHEMBL20726643

SCHEMBL20726643

Cc1ccc(NNC(=O)c2cc(C)c(=O)n(C)c2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.49
MAPT P10636 3/20 0.49
AGTR1 P30556 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GFER P55789 1/20 0.47
MAOB P27338 1/20 0.42
BRD4 O60885 6/20 0.41
BRD9 Q9H8M2 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL20726653 0.85 PTGS2 (0.53) GAAMAPTALDH1A1BRD4RAB9A
SCHEMBL20726641 0.79 LMNA (0.45) MAPTALDH1A1BRD4NPC1RAB9A
SCHEMBL20726657 0.78 HDAC3 (0.38) GAAMAPTALDH1A1BRD4BRD9
SCHEMBL20726622 0.74 MAP2K1 (0.46) GAAMAPTGFERBRD4BRD9
SCHEMBL16672341 0.73 PTGS2 (0.56) GAAMAPTAGTR1ALDH1A1MAOB
SCHEMBL16672381 0.72 GAA (0.44) GAAMAPTAGTR1ALDH1A1GFER
SCHEMBL16672399 0.71 GAA (0.48) GAAMAPTAGTR1ALDH1A1GFER
SCHEMBL16672371 0.70 GFER (0.46) GAAMAPTALDH1A1GFERMAOB
SCHEMBL16672372 0.69 MAPT (0.45) GAAMAPTNPC1RAB9AKMT2A
SCHEMBL480606 0.69 BRD4 (0.50) BRD4BRD9

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