SCHEMBL28247258

SCHEMBL28247258

C=CN(CCNCCC)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
KCNH2 Q12809 4/20 0.41
REN P00797 2/20 0.41
GAA P10253 1/20 0.39
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
AOC3 Q16853 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 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
SCHEMBL1561086 0.86 KCNH2 (0.42) SIGMAR1KCNH2RENGAATSHR
SCHEMBL10537188 0.84 KCNH2 (0.43) SIGMAR1KCNH2RENGAACARM1
SCHEMBL7946214 0.83 KCNH2 (0.42) SIGMAR1KCNH2RENGAACARM1
SCHEMBL855604 0.80 KCNH2 (0.44) SIGMAR1KCNH2GAATSHRALDH1A1
SCHEMBL9500849 0.80 KCNH2 (0.47) SIGMAR1KCNH2TSHRALDH1A1
Heptane SCHEMBL28128730 0.80 SIGMAR1 (0.41) SIGMAR1KCNH2RENALDH1A1
SCHEMBL145173 0.79 ALDH1A1 (0.40) SIGMAR1KCNH2RENGAAALDH1A1
SCHEMBL5171733 0.79 KCNH2 (0.37) SIGMAR1KCNH2RENGAAALDH1A1
SCHEMBL29005057 0.79 KCNH2 (0.37) SIGMAR1KCNH2RENGAA
SCHEMBL9602480 0.79 KCNH2 (0.50) SIGMAR1KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003825-A A kind of silane coupler modified SBS adhesive of aluminium bonding and preparation method thereof 广东绿洲化工有限公司 2019-07-12 CN claimed
CN-108603048-A Active energy ray-curable composition and laminate 三菱化学株式会社 2018-09-28 CN disclosed