SCHEMBL31318323

SCHEMBL31318323

Nc1ccc(Oc2ccc(-c3ccc(Oc4ccc(N)cc4)c(N)c3N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TDP1 Q9NUW8 2/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
MAOA P21397 2/20 0.45
MAPT P10636 5/20 0.44
TEAD4 Q15561 1/20 0.44
MAOB P27338 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.42
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
NLRP1 Q9C000 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NPC1 O15118 2/20 0.40

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
SCHEMBL31318324 1.00 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRNCOA1
SCHEMBL28370510 0.87 ADORA2A (0.51) TDP1CYP3A4TSHRNCOA1NCOA3
SCHEMBL2048299 0.86 ALDH1A1 (0.70) ALDH1A1TDP1CYP3A4TSHRNCOA1
SCHEMBL29229522 0.79 ADORA2A (0.54) ALDH1A1TDP1CYP3A4TSHRNCOA1
SCHEMBL11497775 0.77 NCOA1 (0.59) ALDH1A1TDP1CYP3A4TSHRNCOA1
SCHEMBL8667036 0.76 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRNCOA1
SCHEMBL9360097 0.76 NCOA1 (0.86) ALDH1A1TDP1CYP3A4TSHRNCOA1
SCHEMBL25135230 0.75 NCOA1 (0.77) ALDH1A1TDP1CYP3A4TSHRNCOA1
SCHEMBL3783536 0.75 NCOA1 (0.67) ALDH1A1TDP1CYP3A4TSHRNCOA1
SCHEMBL31613230 0.75 NCOA1 (0.61) ALDH1A1TDP1CYP3A4TSHRNCOA1

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-119306620-A Refining and purifying method of electronic grade 4,4' -di (4-aminophenoxy) biphenyl 安徽金禾合成材料研究院有限公司 2025-01-14 CN disclosed