SCHEMBL28296260

SCHEMBL28296260

C=Cc1cccc(-c2ccccc2)c1CN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.46
DPP8 Q6V1X1 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
CSNK2A1 P68400 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 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
SCHEMBL7105247 0.82 PDCD1 (0.37) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5889004 0.82 GABRA1 (0.38) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29206317 0.81 MAOB (0.38) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29644323 0.81 MAOB (0.38) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27670029 0.80 DPP4 (0.60) DPP4DPP8TAAR1ALDH1A1HSD17B10
SCHEMBL28032809 0.79 PTGS1 (0.42) PDCD1CD274
SCHEMBL4508202 0.79 ALDH1A1 (0.36) DPP4GRIN2DGRIN3BGRIN1GRIN2A
Hydrogen Sulfide SCHEMBL27639876 0.78 DPP4 (0.58) DPP4DPP8TAAR1ALDH1A1HSD17B10
SCHEMBL76904 0.76 ALDH1A1 (0.46) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29418124 0.76 ALDH1A1 (0.46) DPP4GRIN2DGRIN3BGRIN1GRIN2A

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-107200802-B The functional polymer and its anionic polymerisation preparation method of styrene derivative 浙江众立合成材料科技股份有限公司 2019-04-19 CN disclosed