SCHEMBL29550355

SCHEMBL29550355

COC(=O)N1C=COCC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12613764 0.75
SCHEMBL4196209 0.69
SCHEMBL360593 0.69 MEN1 (0.36) TSHRPOLBMEN1KMT2A
SCHEMBL28008421 0.68 TSHR (0.31) TSHR
SCHEMBL16504608 0.67 CYP1A2 (0.34) TSHRKMT2AL3MBTL1
SCHEMBL1856788 0.65 L3MBTL1 (0.33) TSHRMEN1KMT2AL3MBTL1
SCHEMBL28464466 0.64 SMN1; SMN2 (0.59) TSHRMEN1KMT2AL3MBTL1
SCHEMBL28941436 0.63 ALDH1A1 (0.34)
SCHEMBL360939 0.61
SCHEMBL9185491 0.60 USP2 (0.41) MEN1KMT2A

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-114302886-A Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2022-04-08 CN disclosed