SCHEMBL8344640

SCHEMBL8344640

Nc1cccc(C(=O)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.61
F2 P00734 1/20 0.52
PLG P00747 1/20 0.52
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
NPC1 O15118 1/20 0.52
MITF O75030 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.48
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
PTGS1 P23219 3/20 0.47
HSD17B10 Q99714 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL102641 0.83 ATM (0.52) HSD17B10SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL125621 0.81 PBRM1 (0.87) PBRM1F2PLGPRSS1PRSS2
SCHEMBL29363032 0.81 PBRM1 (0.87) PBRM1F2PLGPRSS1PRSS2
SCHEMBL5091376 0.81 PBRM1 (0.65) PBRM1F2PLGPRSS1PRSS2
SCHEMBL9282073 0.81 PBRM1 (0.87) PBRM1F2PLGPRSS1PRSS2
3-Aminobenzoic Acid SCHEMBL27648 0.79 PBRM1 (0.69) PBRM1F2PLGPRSS1PRSS2
3-Aminobenzamide SCHEMBL16070 0.79 PBRM1 (0.63) PBRM1F2PLGPRSS1PRSS2
SCHEMBL9101086 0.79 PBRM1 (0.83) PBRM1F2PLGPRSS1PRSS2
3-Aminobenzoic Acid SCHEMBL8003706 0.79 PBRM1 (0.69) PBRM1F2PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL8643223 0.79 PBRM1 (0.83) PBRM1F2PLGPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109971210-B Phenolic azo type reactive dye and preparation method thereof 南京林业大学 2021-04-20 CN disclosed
CN-109971209-B Amino naphthol sulfonic acid azo type reactive dye and preparation method thereof 南京林业大学 2020-12-04 CN disclosed
CN-109971210-A A kind of phenols azo reactive dye and preparation method thereof 南京林业大学 2019-07-05 CN disclosed
EP-2308854-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Sanofi-Aventis (FR) 2011-04-13 EP disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 WO disclosed