SCHEMBL30745201

SCHEMBL30745201

CC1(C)c2ccccc2-c2ccc(Nc3ccccc3)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.59
ALDH1A1 P00352 8/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
AR P10275 1/20 0.45
APP P05067 1/20 0.45
HSD17B10 Q99714 5/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
ALOX12 P18054 5/20 0.45
TSHR P16473 4/20 0.45
ALOX15 P16050 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 2/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
PTGS2 P35354 1/20 0.45
HTR2B P41595 1/20 0.45
CYP3A4 P08684 5/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL783000 1.00 PDK2 (0.59) PDK2ALDH1A1MAPTMEN1KMT2A
Diphenylamine SCHEMBL28311688 1.00 PDK2 (0.59) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL29405352 1.00 PDK2 (0.59) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL14174211 0.97 PDK2 (0.56) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL15146297 0.95 PDK2 (0.55) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL19954774 0.95 PDK2 (0.55) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL29462256 0.95 PDK2 (0.51) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL782290 0.95 PDK2 (0.51) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL12950969 0.95 PDK2 (0.51) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL30935420 0.92 PDK2 (0.51) PDK2ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563205-B Novel compound and organic light-emitting element comprising same 株式会社东进世美肯 2025-06-10 CN disclosed
CN-112538046-B Organic compound with aza-spiro-bifluorene structure and application thereof 常州强力电子新材料股份有限公司 2024-06-07 CN disclosed
CN-111479799-B Organic compound and organic electroluminescent element comprising same 斗山索如始株式会社 2024-03-01 CN disclosed
CN-117417261-A 2, 3-substituted naphthylamine derivative organic light-emitting compound and organic electroluminescent device CMDL有限公司 2024-01-19 CN disclosed