SCHEMBL28053125

SCHEMBL28053125

CCN1c2ccc(C=O)cc2Sc2c(Br)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 4/20 0.37
▸ ALDH1A1 P00352 11/20 0.35
▸ ALDH3A1 P30838 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ HTT P42858 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ PTGER4 P35408 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ IDE P14735 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ TP53 P04637 1/20 0.31

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
SCHEMBL8185277 0.83 ALDH1A1 (0.39) ALDH1A3ALDH1A1ALDH3A1MAPTHTT
SCHEMBL29773802 0.83 ALDH1A1 (0.39) ALDH1A3ALDH1A1ALDH3A1MAPTHTT
SCHEMBL31481617 0.82 ALDH1A1 (0.48) ALDH1A1MAPTHTTHPGDMEN1
SCHEMBL4632567 0.82 ALDH1A1 (0.48) ALDH1A1MAPTHTTHPGDMEN1
SCHEMBL28520085 0.81 PRMT1 (0.41) ALDH1A3ALDH1A1ALDH3A1MAPTHTT
SCHEMBL9712163 0.79 ALDH1A1 (0.46) ALDH1A1MAPTHTTHPGDMEN1
SCHEMBL10787347 0.73 ALDH1A1 (0.40) ALDH1A1MAPTHTTHPGDMEN1
SCHEMBL30444589 0.72 PDF (0.44) APPPDF
SCHEMBL29376040 0.72 PDF (0.48) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL25842328 0.72 PDF (0.48) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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-105669591-A Double-donor aromatic amine photosensitizer and application thereof in LED visible light curing 北京化工大学 2016-06-15 — — CN disclosed
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