SCHEMBL27434871

SCHEMBL27434871

Cc1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.68
KMT2A Q03164 8/20 0.68
MAPT P10636 6/20 0.68
L3MBTL1 Q9Y468 3/20 0.60
MAPK1 P28482 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 1/20 0.59
RAB9A P51151 1/20 0.58
TSHR P16473 1/20 0.54
ACHE P22303 1/20 0.54
POLB P06746 1/20 0.53
ALOX5 P09917 2/20 0.53
PTGES O14684 1/20 0.53
FBP1 P09467 1/20 0.53
GFER P55789 2/20 0.50
TBXA2R P21731 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
AKR1B10 O60218 1/20 0.48

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
SCHEMBL16767959 0.90 L3MBTL1 (0.60) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL6002470 0.84 MAPT (0.73) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL4940284 0.84 TDP1 (0.68) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL293916 0.83 MAPT (0.72) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL11515701 0.83 MAPT (0.72) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL17364440 0.82 TSHR (0.70) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL13002357 0.81 AKR1C3 (0.63) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL3272499 0.81 MAPT (0.73) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL12786875 0.81 FBP1 (0.59) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL7128152 0.80 HPGD (0.66) MEN1KMT2AMAPTL3MBTL1ALDH1A1

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-1262547-C Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative HOFFMANN LA ROCHE (CH) 2006-07-05 CN disclosed
CN-1176910-C Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives - 2004-11-24 CN disclosed
CN-1515559-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN disclosed
CN-1515562-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN disclosed
CN-1104422-C Guanidinyl heterocycle compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2003-04-02 CN disclosed
CN-1203228-A Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives HOFFMANN LA ROCHE (CH) 1998-12-30 CN disclosed