SCHEMBL7835689

SCHEMBL7835689

CC1=CC(c2cccc(OC(F)(F)F)c2)C2=C(CCCC2=O)N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.57
ABCC8 Q09428 2/20 0.57
KCNJ11 Q14654 2/20 0.57
KCNJ8 Q15842 2/20 0.57
GPR174 Q9BXC1 4/20 0.46
CACNA1D Q01668 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
FFAR3 O14843 1/20 0.39
GLA P06280 1/20 0.38
AURKA O14965 3/20 0.37
AURKB Q96GD4 3/20 0.37

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
SCHEMBL7833877 0.87 GPR174 (0.57) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7837406 0.84 FFAR3 (0.53) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7824118 0.82 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7835633 0.80 ALDH1A1 (0.60) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7823758 0.80 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7824114 0.77 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7825583 0.76 FFAR3 (0.49) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7838163 0.76 KMT2A (0.53) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL6468926 0.74 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL8876634 0.74 ALDH1A1 (0.58) GPR174CACNA1DKMT2AMEN1L3MBTL1

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