SCHEMBL29484239

SCHEMBL29484239

Nc1ccc(-c2ccc(N)cc2O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.59
TSHR P16473 3/20 0.59
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
PDE10A Q9Y233 1/20 0.52
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
GAA P10253 3/20 0.52
ESR2 Q92731 1/20 0.52
PTPN1 P18031 1/20 0.52
TDP1 Q9NUW8 4/20 0.48
ALOX15 P16050 3/20 0.48
HSD17B10 Q99714 3/20 0.48
POLB P06746 2/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
THRB P10828 2/20 0.46
HIF1A Q16665 2/20 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
SCHEMBL483397 1.00 CASP1 (0.59) CASP1TSHRCA1CA2PDE10A
Methane SCHEMBL28033104 0.97 CASP1 (0.56) CASP1TSHRCA1CA2PDE10A
SCHEMBL28033075 0.92 CASP1 (0.52) CASP1TSHRCA1CA2PDE10A
SCHEMBL5685322 0.89 CASP1 (0.50) CASP1TSHRCA1CA2PDE10A
SCHEMBL6783805 0.89 PDE10A (0.56) CASP1TSHRCA1CA2PDE10A
SCHEMBL5687674 0.89 ALDH1A1 (0.50) CASP1TSHRCA1CA2PDE10A
SCHEMBL28053536 0.89 ALDH1A1 (0.56) CASP1TSHRCA1CA2PDE10A
SCHEMBL5688007 0.87 TSHR (0.48) CASP1TSHRCA1CA2PDE10A
SCHEMBL5687750 0.87 SMN1; SMN2 (0.50) CASP1TSHRCA1CA2PDE10A
SCHEMBL8781157 0.85 TSHR (0.46) CASP1TSHRCA1CA2PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114272767-B Biphenyl compound organic solvent nanofiltration composite membrane and preparation method thereof 天津工业大学 2022-10-21 CN claimed
CN-114272767-B Biphenyl compound organic solvent nanofiltration composite membrane and preparation method thereof 天津工业大学 2022-10-21 CN disclosed
CN-114272767-A Diphenyl phenol compound organic solvent nanofiltration composite membrane and preparation method thereof 天津工业大学 2022-04-05 CN disclosed