SCHEMBL30345593

SCHEMBL30345593

CCCCCCCCCCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KCNH2 Q12809 2/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TLR8 Q9NR97 6/20 0.43
LIPG Q9Y5X9 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TYR P14679 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
ALOX5 P09917 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
BID P55957 3/20 0.40

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
SCHEMBL9058783 1.00 MEN1 (0.59) MEN1KMT2AKCNH2ALDH1A1CYP3A4
SCHEMBL28012082 1.00 MEN1 (0.59) MEN1KMT2AKCNH2ALDH1A1CYP3A4
SCHEMBL9445539 1.00 MEN1 (0.59) MEN1KMT2AKCNH2ALDH1A1CYP3A4
SCHEMBL8684572 1.00 MEN1 (0.59) MEN1KMT2AKCNH2ALDH1A1CYP3A4
SCHEMBL9299020 1.00 MEN1 (0.59) MEN1KMT2AKCNH2ALDH1A1CYP3A4
SCHEMBL4585929 1.00 MEN1 (0.59) MEN1KMT2AKCNH2ALDH1A1CYP3A4
SCHEMBL9931458 1.00 MEN1 (0.59) MEN1KMT2AKCNH2ALDH1A1CYP3A4
Methane SCHEMBL26103663 0.98 MEN1 (0.58) MEN1KMT2AKCNH2ALDH1A1CYP3A4
SCHEMBL728204 0.98 MEN1 (0.61) MEN1KMT2AKCNH2ALDH1A1CYP3A4
SCHEMBL719581 0.93 MEN1 (0.63) MEN1KMT2AALDH1A1CYP3A4TSHR

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-115850080-A Fluorescent liquid crystal micromolecule with temperature-controlled optical texture and photoluminescence double anti-counterfeiting mechanisms and preparation method thereof 徐州工程学院 2023-03-28 CN disclosed