SCHEMBL8745296

SCHEMBL8745296

[2H]O[C@H](c1c2ccccc2cc2ccccc12)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HPGD P15428 5/20 0.36
HSD17B10 Q99714 4/20 0.36
KDM4E B2RXH2 4/20 0.36
CYP1A2 P05177 3/20 0.36
GLA P06280 2/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN1 P18031 1/20 0.35
TRPM4 Q8TD43 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HTR2A P28223 1/20 0.33
NQO2 P16083 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL3075110 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL2482183 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL977301 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL14155951 0.76 MEN1 (0.37) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL9975511 0.72 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL27925964 0.71 L3MBTL1 (0.37) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL13180821 0.69 HTR2A (0.45) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL9732659 0.68 KMT2A (0.38) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL7074543 0.68 PTPN22 (0.47) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL29946603 0.68 PTPN22 (0.47) ALDH1A1MEN1KMT2AHSD17B10KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755382-A1 QUINOLONE DERIVATIVE FOR TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1997-01-29 EP disclosed
WO-1995028388-A1 QUINOLONE DERIVATIVE FOR TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1995-10-26 WO disclosed