SCHEMBL7835693

SCHEMBL7835693

O=C1CCCC2=C1C(c1cccc([N+](=O)[O-])c1)C1=C(CCCC1)N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.52
ABCC8 Q09428 5/20 0.52
KCNJ11 Q14654 5/20 0.52
KCNJ8 Q15842 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GPR174 Q9BXC1 4/20 0.50
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CACNA1C Q13936 1/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 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
SCHEMBL7814727 0.92 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL8741586 0.89 KMT2A (0.43) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL6928301 0.84 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL6904653 0.83 MEN1 (0.48) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL6436430 0.83 MEN1 (0.48) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL7947122 0.82 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7832048 0.81 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL7835588 0.81 KDM4E (0.61) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL7835453 0.81 ABCC9 (0.67) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL7824313 0.80 GPR174 (0.60) ABCC9ABCC8KCNJ11KCNJ8MEN1

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