SCHEMBL29273147

SCHEMBL29273147

Cc1cc(C)c(-c2ccc(C3=CC(=O)C=CC3=O)cc2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
MCL1 Q07820 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HSD17B3 P37058 1/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
SETD7 Q8WTS6 7/20 0.47
PTPN11 Q06124 1/20 0.40
CCR6 P51684 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL29273138 0.83 CCR6 (0.44) MEN1MAPTKMT2AKDM4EPKM
SCHEMBL3786541 0.81 KDM4E (0.66) MEN1MAPTKMT2AKDM4EPKM
SCHEMBL27169536 0.79 HSD17B3 (0.78) MEN1MAPTKMT2AKDM4EPKM
SCHEMBL6331662 0.77 MAOA (0.52) MEN1MAPTKMT2AKDM4EPKM
SCHEMBL29273149 0.77 CCR6 (0.47) MEN1MAPTKMT2AKDM4EPKM
SCHEMBL27485672 0.77 MCL1 (0.55) MEN1MAPTKMT2AKDM4EPKM
SCHEMBL29694584 0.77 MCL1 (0.55) MEN1MAPTKMT2AKDM4EPKM
SCHEMBL6382158 0.72 ALDH1A1 (0.40) MEN1MAPTKMT2ATDP1ALDH1A1
SCHEMBL25834318 0.71 MAOB (0.60) MEN1MAPTKMT2AKDM4EPKM
SCHEMBL27694788 0.71 PTPN11 (0.42) MEN1MAPTKMT2AKDM4EPKM

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-118325078-A Preparation method and application of benzoquinone conjugated polymer 中国科学院宁波材料技术与工程研究所 2024-07-12 CN disclosed