SCHEMBL7834997

SCHEMBL7834997

CC1=CC(c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 1/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 1/20 0.42
MAPK1 P28482 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GSK3B P49841 2/20 0.41
GSK3A P49840 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL7838163 0.84 KMT2A (0.53) CACNA1DKMT2AALDH1A1L3MBTL1MAPT
SCHEMBL7823457 0.83 GSK3B (0.57) CACNA1DKMT2AALDH1A1HTTL3MBTL1
SCHEMBL5471430 0.83 KDM4E (0.57) CACNA1DKMT2AALDH1A1L3MBTL1MAPT
SCHEMBL7817217 0.82 CA1 (0.60) CA12CA1CA2CA9KMT2A
SCHEMBL29484196 0.76 ACHE (0.49) CA12CA1CA2CA9KMT2A
SCHEMBL29484197 0.76 ACHE (0.49) CA12CA1CA2CA9KMT2A
SCHEMBL31069050 0.72 LMNA (0.46) CACNA1DKMT2AALDH1A1L3MBTL1MAPT
SCHEMBL9668513 0.72 KMT2A (0.43) CACNA1DKMT2AALDH1A1L3MBTL1MAPT
SCHEMBL7835486 0.72 KMT2A (0.52) CACNA1DKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7420762 0.72 CACNA1F (0.54) CACNA1DKMT2AALDH1A1L3MBTL1MAPT

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-0665834-B1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ASTRAZENECA AB (SE) 2001-05-30 EP disclosed
US-5622964-A ADMINISTERING 4,6,7,8-TETRAHYDRO-5(1H)-QUINOLONE DERIVATIVE TO TREAT ASTHMA IN MAMMALS ZENECA LIMITED (GB) 1997-04-22 US disclosed
US-5455253-A For urinary incontinence ZENECA LIMITED (GB) 1995-10-03 US disclosed
WO-1994008966-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1994-04-28 WO disclosed