SCHEMBL30749099

SCHEMBL30749099

COc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.59
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
TOP1 P11387 1/20 0.44
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
DUSP3 P51452 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
APP P05067 1/20 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
SCHEMBL14191206 0.84 CA1 (0.50) PDK2CA1CA2CA7CA9
SCHEMBL29488304 0.82 MAPT (0.60) PDK2CA1CA2CA7CA9
SCHEMBL31180904 0.82 STK10 (0.47) PDK2ALDH1A1KMT2AMAPTKDM4E
SCHEMBL995102 0.81 CA1 (0.46) PDK2CA1CA2CA7CA9
SCHEMBL4824717 0.80 TP53 (0.52) PDK2CA1CA2CA7CA9
SCHEMBL23519919 0.78 PDK2 (0.40) PDK2CA1CA2CA7CA9
SCHEMBL29326683 0.77 PDK2 (0.41) PDK2MEN1KMT2AMAPTKDM4E
SCHEMBL17427508 0.76 CA1 (0.41) PDK2CA1CA2CA7CA9
SCHEMBL22000450 0.76 PDK2 (0.41) PDK2CA1CA2CA7CA9
SCHEMBL7805289 0.76 TDP1 (0.41) PDK2TOP1ALDH1A1MEN1KMT2A

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-117343037-B Spirofluorene naphthoxanthene organic blue light material and preparation method and application thereof 山东浩华新材料科技有限公司 2024-12-03 CN disclosed
CN-117343037-A Spirofluorene naphthoxanthene organic blue light material and preparation method and application thereof 山东浩华新材料科技有限公司 2024-01-05 CN disclosed