SCHEMBL28903530

SCHEMBL28903530

NNc1cc2ccccc2nc1NN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
MAPT P10636 7/20 0.48
GLA P06280 2/20 0.48
HPGD P15428 2/20 0.48
ACHE P22303 1/20 0.48
KDM4E B2RXH2 7/20 0.46
NSD2 O96028 1/20 0.43
TLR8 Q9NR97 2/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 3/20 0.42
HTR3A P46098 1/20 0.41
GAA P10253 4/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
PTBP1 P26599 1/20 0.40
KMT2A Q03164 1/20 0.40
RCE1 Q9Y256 1/20 0.40
MAOA P21397 2/20 0.39
PTGS1 P23219 2/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL15845644 0.82 TLR8 (0.56) ALDH1A1MAPTGLAHPGDACHE
SCHEMBL7028200 0.78 ALDH1A1 (0.46) ALDH1A1MAPTGLAHPGDACHE
SCHEMBL9537343 0.78 TDP1 (0.53) ALDH1A1MAPTGLAHPGDACHE
SCHEMBL28327449 0.78 ALDH1A1 (0.46) ALDH1A1MAPTGLAHPGDACHE
SCHEMBL19321566 0.75 MAPT (0.63) ALDH1A1MAPTHPGDKDM4ENSD2
SCHEMBL5592991 0.73 KMT2A (0.59) ALDH1A1MAPTGLAHPGDACHE
SCHEMBL219397 0.73 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EPOLBGAA
Acridine SCHEMBL29352289 0.67 ALDH1A1 (1.00) ALDH1A1MAPTGLAHPGDACHE
Acridine SCHEMBL8339 0.67 ALDH1A1 (1.00) ALDH1A1MAPTGLAHPGDACHE
Acridine SCHEMBL3045498 0.67 ALDH1A1 (1.00) ALDH1A1MAPTGLAHPGDACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574445-B Water-soluble vulcanized dimer quinoline quaternary ammonium salt corrosion inhibitor and preparation method and application thereof 湖北精瑜材料有限公司 2021-02-26 CN claimed
CN-111574445-A Water-soluble vulcanized dimer quinoline quaternary ammonium salt corrosion inhibitor and preparation method and application thereof 湖北精瑜材料有限公司 2020-08-25 CN claimed
CN-111574445-B Water-soluble vulcanized dimer quinoline quaternary ammonium salt corrosion inhibitor and preparation method and application thereof 湖北精瑜材料有限公司 2021-02-26 CN disclosed
CN-111574445-B Water-soluble vulcanized dimer quinoline quaternary ammonium salt corrosion inhibitor and preparation method and application thereof 湖北精瑜材料有限公司 2021-02-26 CN disclosed
CN-111574445-A Water-soluble vulcanized dimer quinoline quaternary ammonium salt corrosion inhibitor and preparation method and application thereof 湖北精瑜材料有限公司 2020-08-25 CN disclosed
CN-111574445-A Water-soluble vulcanized dimer quinoline quaternary ammonium salt corrosion inhibitor and preparation method and application thereof 湖北精瑜材料有限公司 2020-08-25 CN disclosed