SCHEMBL8994826

SCHEMBL8994826

C=[N+]=[N-].[N-]=[N+]=C1c2ccccc2-c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CES2 O00748 1/20 0.33
APAF1 O14727 1/20 0.33
TERT O14746 1/20 0.33
PLIN1 O60240 1/20 0.33
TDP2 O95551 1/20 0.33
S1PR4 O95977 1/20 0.33
PLA2G1B P04054 1/20 0.33
BCHE P06276 1/20 0.33
POLB P06746 1/20 0.33
PTPRC P08575 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL482108 0.92 MEN1 (0.38) SMN1; SMN2MAPK1MEN1NPC1KMT2A
SCHEMBL29394495 0.92 MEN1 (0.38) SMN1; SMN2MAPK1MEN1NPC1KMT2A
SCHEMBL8964577 0.84 S100A4 (0.48) SMN1; SMN2MAPK1MEN1NPC1KMT2A
SCHEMBL8936666 0.77 MEN1 (0.60) SMN1; SMN2MAPK1MEN1NPC1KMT2A
SCHEMBL3888093 0.77 ALDH1A1 (0.46) MAPK1LMNAMAPTALDH1A1TSHR
SCHEMBL482129 0.75 S100A4 (0.55) SMN1; SMN2MAPK1MEN1NPC1KMT2A
SCHEMBL8076772 0.75 SMN1; SMN2 (0.37) SMN1; SMN2MAPK1MEN1NPC1KMT2A
SCHEMBL8076780 0.75 SMN1; SMN2 (0.37) SMN1; SMN2MAPK1MEN1NPC1KMT2A
SCHEMBL10425615 0.73 GPR3 (0.41) PTPRCGPR3CYP1A2L3MBTL1
SCHEMBL10426587 0.73 S100A4 (0.52) SMN1; SMN2MEN1NPC1KMT2AS100A4

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-5558976-A HYDROXYSTYRENE POLYMER DERIVATIVES, PHOTOACID GENERATOR, PHOTORESISTS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-24 US disclosed