SCHEMBL29987261

SCHEMBL29987261

Nc1cc(Cl)c(Oc2cc(C3CCCCC3)c(Cl)nn2)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.35
HSD11B1 P28845 1/20 0.34
FEN1 P39748 6/20 0.34
TDO2 P48775 1/20 0.32
ALOX5AP P20292 3/20 0.31
MAPT P10636 1/20 0.31
THRA P10827 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
SCHEMBL23421620 0.99 FEN1 (0.35) THRBHSD11B1FEN1TDO2ALOX5AP
SCHEMBL29986640 0.99 FEN1 (0.35) THRBHSD11B1FEN1TDO2ALOX5AP
SCHEMBL29414843 0.96 FEN1 (0.37) THRBHSD11B1FEN1ALOX5APMAPT
SCHEMBL22632540 0.96 FEN1 (0.37) THRBHSD11B1FEN1ALOX5APMAPT
SCHEMBL21749432 0.93 THRA (0.33) THRBFEN1MAPTTHRA
SCHEMBL31524123 0.93 THRA (0.33) THRBFEN1MAPTTHRA
SCHEMBL28632953 0.85 THRB (0.33) THRBHSD11B1MAPTTHRA
SCHEMBL30075040 0.84 THRB (0.35) THRBHSD11B1THRA
SCHEMBL24032513 0.83 MAPT (0.33) MAPT
SCHEMBL23260087 0.82 MAPT (0.32) MAPT

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-113454069-B 1,2, 4-Triazine-3, 5-dione compound, and preparation method and application thereof 昆药集团股份有限公司 2025-03-14 CN disclosed
CN-113278013-B 2, 6-disubstituted 1,2, 4-triazine-3, 5-diketone compound and preparation method and application thereof 昆药集团股份有限公司 2022-09-23 CN disclosed