SCHEMBL8878451

SCHEMBL8878451

CC1=C(C#N)C(c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 6/20 0.65
HPGD P15428 5/20 0.65
GAA P10253 4/20 0.65
GLA P06280 2/20 0.65
ABCC9 O60706 3/20 0.55
ABCC8 Q09428 3/20 0.55
KCNJ11 Q14654 3/20 0.55
KCNJ8 Q15842 3/20 0.55
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.50
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.46
GPR174 Q9BXC1 1/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL7011365 0.85 ALDH1A1 (0.48) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL7814727 0.85 ABCC9 (0.60) GAAABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5227900 0.84 MEN1 (0.53) KDM4EALDH1A1HPGDGAAABCC9
SCHEMBL7833415 0.84 ALDH1A1 (0.54) KDM4EALDH1A1HPGDGAAABCC9
SCHEMBL6910323 0.83 MEN1 (0.49) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL7835693 0.80 ABCC9 (0.52) KDM4EALDH1A1HPGDGAAABCC9
SCHEMBL7824821 0.79 CACNA1F (0.58) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL6928301 0.78 ABCC9 (0.50) KDM4EALDH1A1GAAABCC9ABCC8
SCHEMBL5061501 0.77 FFAR3 (0.75) KDM4E
SCHEMBL7838163 0.77 KMT2A (0.53) KDM4EALDH1A1HPGDGAAABCC9

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
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
EP-0665834-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1995-08-09 EP disclosed
WO-1994008966-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1994-04-28 WO disclosed