SCHEMBL8729423

SCHEMBL8729423

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 4/20 0.53
GAA P10253 2/20 0.53
HTT P42858 1/20 0.53
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 1/20 0.49
CASP7 P55210 1/20 0.49
CASP6 P55212 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL6986744 0.86 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2976618 0.84 GAA (0.60) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL6293793 0.84 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2976612 0.84 GAA (0.60) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2742576 0.83 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL9449799 0.83 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL16233087 0.82 SMN1; SMN2 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4290505 0.82 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL13523692 0.81 KMT2A (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8729537 0.81 POLB (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA

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