SCHEMBL10396140

SCHEMBL10396140

O=C(CBr)c1ccccc1N1C(=O)c2ccc3ccccc3c2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.51
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.40
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
WDR5 P61964 1/20 0.37
ENPP2 Q13822 1/20 0.36
CDC25B P30305 1/20 0.36
DNMT1 P26358 1/20 0.36
SOS1 Q07889 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CBX7 O95931 1/20 0.35
CDY1; CDY1B Q9Y6F8 1/20 0.35
GAA P10253 1/20 0.35
HPGDS O60760 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL10505136 0.81 APEX1 (0.49) PTPN1POLBAPEX1ALDH1A1BCHE
SCHEMBL28346733 0.78 POLB (0.72) POLBFNTAFNTBENPP2DNMT1
SCHEMBL6323485 0.71 POLB (0.53) POLBFNTAFNTBDNMT1ALDH1A1
SCHEMBL299840 0.70 HSPA1A (0.56) POLBWDR5DNMT1ALDH1A1GAA
SCHEMBL8088874 0.70 DNMT1 (0.39) PTPN1WDR5DNMT1ALDH1A1GAA
SCHEMBL220589 0.70 PTPN1 (1.00) PTPN1POLBCDC25BALDH1A1CBX7
SCHEMBL30752696 0.70 PTPN1 (1.00) PTPN1POLBCDC25BALDH1A1CBX7
SCHEMBL9327695 0.69 DNMT1 (0.46) POLBWDR5DNMT1ALDH1A1MEN1
SCHEMBL10396735 0.67 BCHE (0.44) DNMT1ALDH1A1GAAMEN1LMNA
SCHEMBL6734024 0.67 DNMT1 (0.50) POLBWDR5DNMT1ALDH1A1MEN1

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-4919848-A Process for the quenching of fluorescence, and new cationic naphthalene-peri-dicarboxylic acid imide derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-04-24 US disclosed