SCHEMBL7833877

SCHEMBL7833877

COc1cccc(C2C=C(C)NC3=C2C(=O)CCC3)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 3/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GAA P10253 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CACNA1D Q01668 1/20 0.49
GLA P06280 2/20 0.48
GALK1 P51570 1/20 0.47
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
ABCC9 O60706 2/20 0.42
ABCC8 Q09428 2/20 0.42
KCNJ11 Q14654 2/20 0.42

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
SCHEMBL7835633 0.83 ALDH1A1 (0.60) GPR174KMT2AMEN1L3MBTL1GAA
SCHEMBL7833898 0.83 KDM4E (0.60) GPR174KMT2AMEN1L3MBTL1GAA
SCHEMBL2451845 0.82 CACNA1D (0.69) GPR174KMT2AMEN1L3MBTL1GAA
SCHEMBL7833283 0.82 GPR174 (0.76) GPR174KMT2AMEN1L3MBTL1GAA
SCHEMBL7837406 0.81 FFAR3 (0.53) GPR174KMT2AMEN1L3MBTL1GAA
SCHEMBL7838163 0.80 KMT2A (0.53) GPR174KMT2AMEN1L3MBTL1GAA
SCHEMBL13425486 0.79 KMT2A (0.59) GPR174KMT2AMEN1L3MBTL1GAA
SCHEMBL8876634 0.77 ALDH1A1 (0.58) GPR174KMT2AMEN1L3MBTL1GAA
SCHEMBL7836338 0.77 ABCC9 (0.53) GPR174L3MBTL1GAASMN1; SMN2CACNA1D
SCHEMBL7835762 0.77 GPR174 (0.66) GPR174KMT2AMEN1L3MBTL1GAA

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