SCHEMBL8729537

SCHEMBL8729537

CNC(=O)Cc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR35 Q9HC97 1/20 0.47
SNCA P37840 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL13523692 0.85 KMT2A (0.53) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL10665226 0.84 LMNA (0.49) POLBMAPTALDH1A1MAPK1TSHR
SCHEMBL13520189 0.83 POLB (0.52) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL31170840 0.82 ALDH1A1 (0.59) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL286994 0.82 ALDH1A1 (0.59) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL8729423 0.81 ALDH1A1 (0.58) MAPTALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL2710180 0.81 MAPT (0.59) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL231627 0.81 MAPT (0.59) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL29902848 0.81 LMNA (0.52) MAPTALDH1A1MAPK1SMN1; SMN2L3MBTL1
SCHEMBL29902882 0.81 TSHR (0.47) MAPTALDH1A1MAPK1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835107-A1 THE USE OF ALPHA-1C-SELECTIVE ADRENOCEPTOR AGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-04-15 EP disclosed
US-5610174-A Use of α1A -selective adrenoceptor agonists for the treatment of urinary incontinence SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-03-11 US disclosed
WO-1996038143-A1 THE USE OF ALPHA-1C-SELECTIVE ADRENOCEPTOR AGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-12-05 WO disclosed