SCHEMBL5203809

SCHEMBL5203809

Cc1ccc(OCC#N)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GLA P06280 2/20 0.49
ALDH2 P05091 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.42
SLC2A1 P11166 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CASP1 P29466 2/20 0.41
CYP3A4 P08684 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37

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
SCHEMBL18560985 0.83 L3MBTL1 (0.53) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL18398252 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL18398387 0.79 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL15985675 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL8432329 0.79 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL31714520 0.77 MEN1 (0.56) ALDH1A1KDM4EL3MBTL1HSD17B10HPGD
SCHEMBL733260 0.77 MEN1 (0.56) ALDH1A1KDM4EL3MBTL1HSD17B10HPGD
SCHEMBL18560984 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL12311020 0.76 POLB (0.46) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL24203435 0.76 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
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
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed
CN-1203228-A Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives HOFFMANN LA ROCHE (CH) 1998-12-30 CN disclosed