SCHEMBL7835762

SCHEMBL7835762

COc1cccc(C2C3=C(CCCC3)NC3=C2C(=O)CCC3)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 4/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
GAA P10253 4/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ABCC9 O60706 2/20 0.53
ABCC8 Q09428 2/20 0.53
KCNJ11 Q14654 2/20 0.53
KCNJ8 Q15842 2/20 0.53
GALK1 P51570 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GLA P06280 1/20 0.48
BCHE P06276 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
AURKA O14965 1/20 0.45
AURKB Q96GD4 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
SCHEMBL7833283 0.92 GPR174 (0.76) GPR174MEN1KMT2AL3MBTL1GAA
SCHEMBL7824114 0.85 ABCC9 (0.58) GPR174MEN1KMT2AL3MBTL1GAA
SCHEMBL7101099 0.83 GPR174 (0.65) GPR174MEN1KMT2AL3MBTL1GAA
SCHEMBL7835453 0.82 ABCC9 (0.67) GPR174MEN1KMT2AGAAABCC9
SCHEMBL7832048 0.82 ABCC9 (0.56) GPR174MEN1KMT2AGAAABCC9
SCHEMBL7835588 0.82 KDM4E (0.61) GPR174MEN1KMT2AGAAABCC9
SCHEMBL7824313 0.81 GPR174 (0.60) GPR174MEN1KMT2AGAAABCC9
SCHEMBL22388477 0.79 GPR174 (1.00) GPR174MEN1KMT2AL3MBTL1GAA
SCHEMBL3325408 0.79 KDM4E (0.65) GPR174MEN1KMT2AL3MBTL1GAA
SCHEMBL7836158 0.79 ABCC9 (0.84) GPR174MEN1KMT2AL3MBTL1GAA

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