SCHEMBL28137286

SCHEMBL28137286

CCOC(=O)Cc1cccc(N)c1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.51
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PKM P14618 1/20 0.47
NLRP3 Q96P20 2/20 0.44
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
TBXAS1 P24557 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PPIB P23284 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
SCHEMBL28842042 0.87 ALDH1A1 (0.41) CHEK1ALDH1A1HSD17B10TBXAS1SMN1; SMN2
SCHEMBL21437684 0.87 NLRP3 (0.48) CHEK1ALDH1A1HSD17B10PKMNLRP3
SCHEMBL3142760 0.86 ALDH1A1 (0.54) CHEK1ALDH1A1HSD17B10PKMNLRP3
SCHEMBL11224969 0.85 CHEK1 (0.50) CHEK1ALDH1A1HSD17B10PKMNLRP3
SCHEMBL12053320 0.85 CA12 (0.50) CHEK1PKMNLRP3CYP4F2CYP4A11
SCHEMBL28118721 0.85 CHEK1 (0.50) CHEK1ALDH1A1HSD17B10PKMNLRP3
SCHEMBL28137294 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10KMT2ATDP1L3MBTL1
SCHEMBL7563081 0.84 CHEK1 (0.49) CHEK1ALDH1A1HSD17B10PKMNLRP3
SCHEMBL28842276 0.83 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP4F2CYP4A11TDP1
SCHEMBL11333546 0.83 G6PD (0.45) CHEK1ALDH1A1HSD17B10PKMNLRP3

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
CN-104178181-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element 奇美实业股份有限公司 2017-04-12 CN disclosed