SCHEMBL25475506

SCHEMBL25475506

CC(C)(C)c1ccc(-c2cccc3nsnc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ TNF P01375 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ LMNA P02545 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ USP2 O75604 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NR1H4 Q96RI1 3/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.39
▸ TXNRD1 Q16881 1/20 0.38
▸ TXNRD3 Q86VQ6 1/20 0.38
▸ TXNRD2 Q9NNW7 1/20 0.38

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
SCHEMBL28595233 0.86 MAPT (0.42) MAPTKDM4EHIF1AHSD17B10ALDH1A1
SCHEMBL18040333 0.83 KIF11 (0.45) KDM4EALDH1A1TNFNOD1LMNA
SCHEMBL2602433 0.81 MAPT (0.51) MAPTKDM4EHIF1AHSD17B10ALDH1A1
SCHEMBL29903995 0.80 MAPT (0.48) MAPTKDM4EHIF1AHSD17B10ALDH1A1
SCHEMBL2605854 0.79 KDM4E (0.52) MAPTKDM4EHIF1AHSD17B10ALDH1A1
SCHEMBL28664956 0.78 MAPT (0.56) MAPTKDM4EHIF1AHSD17B10ALDH1A1
SCHEMBL29004068 0.78 MAPT (0.51) MAPTKDM4EHIF1AHSD17B10ALDH1A1
SCHEMBL29171299 0.77 TDP1 (0.46) MAPTKDM4EHIF1AHSD17B10ALDH1A1
SCHEMBL4507676 0.77 POLB (0.45) MAPTKDM4EHIF1AHSD17B10ALDH1A1
SCHEMBL19219070 0.77 MAPT (0.46) MAPTKDM4EHIF1AHSD17B10ALDH1A1

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
US-20230151270-A1 Aggregation-Induced Emission Polymer, Preparation Method and Application Thereof QINGDAO AGRICULTURAL UNIVERSITY (CN) 2023-05-18 — — US disclosed
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