SCHEMBL9856947

SCHEMBL9856947

O=C(c1ccc2ccccc2c1-c1ccccc1)c1ccc2ccccc2c1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.63
LDHA P00338 1/20 0.52
CDC25B P30305 1/20 0.50
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
CFTR P13569 1/20 0.44
SOS1 Q07889 1/20 0.44
CYP1B1 Q16678 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A1 P04798 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL11625438 0.89 WDR5 (0.51) WDR5LDHACDC25BMAPTTDP1
SCHEMBL2240626 0.89 WDR5 (0.81) WDR5LDHACDC25BMAPTTDP1
SCHEMBL9857398 0.87 WDR5 (0.53) WDR5LDHACDC25BMAPTTDP1
SCHEMBL9857575 0.86 WDR5 (0.51) WDR5LDHACDC25BMAPTNPSR1
SCHEMBL27927917 0.85 WDR5 (0.59) WDR5LDHAMAPTTDP1MEN1
SCHEMBL17070768 0.85 WDR5 (0.59) WDR5LDHAMAPTTDP1NPSR1
SCHEMBL11623727 0.85 CNR2 (0.50) WDR5CDC25BMAPTMEN1KMT2A
SCHEMBL11622807 0.84 NR4A1 (0.51) WDR5MAPTNPSR1MEN1KMT2A
SCHEMBL11618884 0.83 DYRK1A (0.49) WDR5LDHAMAPTNPSR1MEN1
SCHEMBL9857384 0.82 ABCG2 (0.50) WDR5CDC25BMAPTTDP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426846-A1 FLUORINATED-AROMATIC SULFONIC ACID CATALYST, PROCESS FOR ITS PRODUCTION, AND ITS USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-15 EP disclosed
CN-1040332-A Fluorine-containing aromatic sulfonic acid catalyzer and method for making and purposes MITSUI PETROCHEMICAL IND (JP) 1990-03-14 CN disclosed
US-4026859-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026860-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026861-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed