SCHEMBL29804178

SCHEMBL29804178

N#CCCOCCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.41
MAPT P10636 8/20 0.40
ALDH1A1 P00352 7/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 3/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HSP90AA1 P07900 2/20 0.37
AGTR1 P30556 1/20 0.37
PPARG P37231 1/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL14592329 1.00 MMP14 (0.41) MMP14MAPTALDH1A1POLBGAA
SCHEMBL9950674 0.90 MMP14 (0.48) MMP14MAPTALDH1A1POLBGAA
SCHEMBL9005086 0.84 MMP14 (0.46) MMP14MAPTALDH1A1POLBGAA
SCHEMBL9005087 0.84 MMP14 (0.46) MMP14MAPTALDH1A1POLBGAA
SCHEMBL26605521 0.84 ALDH1A1 (0.54) MMP14MAPTALDH1A1POLBGAA
SCHEMBL1461305 0.83 MMP14 (0.47) MMP14MAPTALDH1A1POLBGAA
SCHEMBL531129 0.83 MMP14 (0.47) MMP14MAPTALDH1A1POLBGAA
SCHEMBL18179608 0.82 MAPT (0.51) MMP14MAPTALDH1A1POLBGAA
SCHEMBL12955087 0.82 MAPT (0.51) MMP14MAPTALDH1A1POLBGAA
SCHEMBL17787411 0.81 ATM (0.45) MMP14MAPTALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416546-A1 Ink Jet Ink Composition And Ink Receiving Body SEIKO EPSON CORPORATION (JP) 2023-12-28 US claimed
CN-116891655-A Inkjet ink composition and ink container 精工爱普生株式会社 2023-10-17 CN claimed
US-20230416546-A1 Ink Jet Ink Composition And Ink Receiving Body SEIKO EPSON CORPORATION (JP) 2023-12-28 US disclosed
US-20230416546-A1 Ink Jet Ink Composition And Ink Receiving Body SEIKO EPSON CORPORATION (JP) 2023-12-28 US disclosed
CN-116891655-A Inkjet ink composition and ink container 精工爱普生株式会社 2023-10-17 CN disclosed
CN-116891655-A Inkjet ink composition and ink container 精工爱普生株式会社 2023-10-17 CN disclosed
CN-111423745-B Black disperse dye composition, black disperse dye and preparation method and application thereof 约克夏(浙江)染化有限公司 2022-09-13 CN disclosed