SCHEMBL29986198

SCHEMBL29986198

NC(=O)c1ccccc1-c1cc(Cl)c(Oc2cc(C3CCCCC3)c(=O)[nH]n2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 7/20 0.46
▸ THRA P10827 5/20 0.46
▸ CAMKK2 Q96RR4 8/20 0.37
▸ CHUK O15111 1/20 0.37
▸ INSR P06213 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ CDC7 O00311 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ FPR1 P21462 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33

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
SCHEMBL28651241 0.79 THRB (0.51) THRBTHRA
SCHEMBL28924887 0.77 THRB (0.62) THRBTHRACDK2
SCHEMBL28651437 0.77 THRB (0.51) THRBTHRA
SCHEMBL29417471 0.76 THRB (0.52) THRBTHRA
SCHEMBL28651291 0.75 THRB (0.52) THRBTHRA
SCHEMBL22632821 0.75 THRB (0.52) THRBTHRA
SCHEMBL21940317 0.73 THRA (0.48) THRBTHRAPARP1
SCHEMBL28442792 0.73 THRB (0.56) THRBTHRA
SCHEMBL28641722 0.71 THRB (0.45) THRBTHRA
SCHEMBL28646663 0.70 THRB (0.45) THRBTHRA

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-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
Send feedback