SCHEMBL30003181

SCHEMBL30003181

C1=CCc2cc3ccccc3cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2A6 P11509 6/20 0.39
ALOX12 P18054 1/20 0.39
NQO2 P16083 1/20 0.38
HSD17B10 Q99714 4/20 0.36
CYP1A2 P05177 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HIF1A Q16665 2/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL308186 1.00 MEN1 (0.48) MEN1KMT2ACYP2A6ALOX12NQO2
SCHEMBL5968259 0.95 MEN1 (0.44) MEN1KMT2ACYP2A6ALOX12NQO2
SCHEMBL10521216 0.86 TSHR (0.44) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL395756 0.78 MEN1 (0.40) MEN1KMT2ACYP2A6ALOX12NQO2
SCHEMBL7914941 0.75 MEN1 (0.52) MEN1KMT2ACYP2A6ALOX12NQO2
SCHEMBL14482014 0.75 MEN1 (0.52) MEN1KMT2ACYP2A6ALOX12NQO2
SCHEMBL29604701 0.75 MEN1 (0.52) MEN1KMT2ACYP2A6ALOX12NQO2
SCHEMBL1808685 0.75 MEN1 (0.52) MEN1KMT2ACYP2A6ALOX12NQO2
SCHEMBL31274423 0.75 MEN1 (0.52) MEN1KMT2ACYP2A6ALOX12NQO2
SCHEMBL29230355 0.75 MEN1 (0.52) MEN1KMT2ACYP2A6ALOX12NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115449365-A Up-conversion material based on continuous triplet state-triplet state annihilation, preparation and application 中国科学院理化技术研究所 2022-12-09 CN disclosed
CN-114539872-B Special anti-corrosion and heat and humidity resistant coating for tantalum capacitor and preparation method and application thereof 广州市联中电子科技有限公司 2022-11-01 CN disclosed
CN-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed