SCHEMBL30089441

SCHEMBL30089441

COC1(N)C=CC(c2ccc(N)cc2)=CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL27533508 0.86 TDP1 (0.38) TDP1ALDH1A1CYP3A4
SCHEMBL6195587 0.85 KDM1A (0.32)
SCHEMBL27519669 0.83 TSHR (0.33) TDP1
SCHEMBL2543904 0.81 CYP3A4 (0.36) TDP1ALDH1A1CYP3A4TP53
SCHEMBL28359754 0.80 CYP19A1 (0.33) ALDH1A1
Hydrochloric Acid SCHEMBL29144452 0.79 CYP3A4 (0.34) TDP1ALDH1A1CYP3A4TP53
SCHEMBL29488303 0.78 ALDH1A1 (0.41) TDP1ALDH1A1CYP3A4MAPK1
SCHEMBL2403790 0.78 CYP3A4 (0.40) TDP1ALDH1A1CYP3A4TP53APP
SCHEMBL29214248 0.76 NPC1 (0.38) ALDH1A1CYP3A4
SCHEMBL31219260 0.75 ALDH1A1 (0.31) TDP1ALDH1A1CYP3A4TP53

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-110771264-B Light-emitting element, display device, and electronic apparatus 索尼半导体解决方案公司 2022-09-20 CN disclosed