SCHEMBL5201854

SCHEMBL5201854

Cc1c(OCC#N)ccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE7A Q13946 1/20 0.37
PDE1C Q14123 1/20 0.37
PDE3A Q14432 1/20 0.37
S1PR4 O95977 6/20 0.36
MAPT P10636 5/20 0.35
LMNA P02545 4/20 0.35
KMT2A Q03164 3/20 0.35
VCAM1 P19320 2/20 0.35
MEN1 O00255 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 2/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL1624471 0.77 TDP1 (0.47) S1PR4MAPTLMNAKMT2AMEN1
SCHEMBL5203986 0.74 PDE1A (0.38) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL4033049 0.74 MAPT (0.54) PDE7AMAPTLMNAKMT2AVCAM1
SCHEMBL7620045 0.72 TSHR (0.46) VCAM1MAPK1TDP1ALDH1A1SMN1; SMN2
SCHEMBL22579601 0.71 ALDH1A1 (0.56) S1PR4MAPTLMNARAB9ANPC1
SCHEMBL8760084 0.70 MRGPRX4 (0.44) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL5202993 0.69 ADRA1A (0.55) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL16174936 0.69 MAPT (0.49) S1PR4MAPTLMNAKMT2AMEN1
SCHEMBL10420952 0.69 ALDH1A1 (0.48) TDP1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL9863235 0.69 MERTK (0.55) S1PR4MAPTLMNAKMT2AVCAM1

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 4 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
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