SCHEMBL8947387

SCHEMBL8947387

CC(=O)c1ccc(C2=NN=C(C)Cc3cc4c(cc32)OCO4)c(N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 3/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
NFKB1 P19838 1/20 0.58
CYP2C19 P33261 1/20 0.58
HIF1A Q16665 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 1/20 0.57
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HSD17B1 P14061 1/20 0.37
GRIA1 P42261 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL8794443 0.89 ALDH1A1 (0.55) GRIA2MAPTMEN1ALDH1A1KMT2A
SCHEMBL5048632 0.80 GRIA2 (0.67) GRIA2MAPTMEN1ALDH1A1KMT2A
Gyki-52466 SCHEMBL29357520 0.74 GRIA2 (1.00) GRIA2MAPTMEN1ALDH1A1KMT2A
Gyki-52466 SCHEMBL194854 0.74 GRIA2 (1.00) GRIA2MAPTMEN1ALDH1A1KMT2A
Gyki-52466 SCHEMBL25227675 0.73 LMNA (1.00) GRIA2MAPTMEN1ALDH1A1KMT2A
Gyki-52466 SCHEMBL249675 0.73 LMNA (1.00) GRIA2MAPTMEN1ALDH1A1KMT2A
Gyki-52466 SCHEMBL29651319 0.73 LMNA (1.00) GRIA2MAPTMEN1ALDH1A1KMT2A
SCHEMBL7398670 0.72 MAPT (0.66) GRIA2MAPTMEN1ALDH1A1KMT2A
SCHEMBL10887479 0.71 GRIA2 (0.76) GRIA2MAPTMEN1ALDH1A1KMT2A
SCHEMBL8792742 0.69 ALDH1A1 (0.64) GRIA2MAPTMEN1ALDH1A1KMT2A

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
US-5521174-A ANTISPASMODIC AGENTS GYOGYSZERKUTATO INTEZET KV. (HU) 1996-05-28 US disclosed