SCHEMBL29019013

SCHEMBL29019013

N#CCc1ccc(-c2ccccc2CC#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.47
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.41
DPP4 P27487 1/20 0.41
MMP3 P08254 1/20 0.40
FLT3 P36888 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ESR2 Q92731 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
ADRA2C P18825 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 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
SCHEMBL29842617 1.00 TNF (0.47) TNFALDH1A1HPGDKMT2ADPP4
SCHEMBL1343377 0.85 DPP4 (0.56) ALDH1A1HPGDKMT2ADPP4ADRA2C
SCHEMBL8046052 0.82 PTGS2 (0.41) ALDH1A1HPGDDPP4FFAR1FFAR4
SCHEMBL554701 0.82 CYP2C19 (0.45) ALDH1A1HPGDKMT2ADPP4FFAR1
SCHEMBL4666102 0.82 ESR2 (0.56) ALDH1A1HPGDKMT2ADPP4MMP3
SCHEMBL7013171 0.82 HTR7 (0.42) ALDH1A1HPGDKMT2ADPP4FFAR1
SCHEMBL29018975 0.79 MMP3 (0.44) TNFALDH1A1HPGDKMT2ADPP4
SCHEMBL12646539 0.79 FFAR1 (0.64) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL343612 0.79 MMP3 (0.53) TNFALDH1A1KMT2AMMP3FLT3
SCHEMBL9447410 0.78 TNF (0.46) TNFKMT2AMMP3ABCB1ABCG2

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-116284907-A Sp (sp) 2 Carbon conjugated two-dimensional polymer film and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2023-06-23 CN claimed
CN-117844007-A Sp (sp) 2 Preparation method of carbon conjugated two-dimensional polymer film 中国科学院宁波材料技术与工程研究所 2024-04-09 CN disclosed