SCHEMBL8370633

SCHEMBL8370633

NN1CCC[C@H]1C(=O)Oc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
RAB9A P51151 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
FABP3 P05413 6/20 0.46
FABP7 O15540 5/20 0.46
FABP5 Q01469 4/20 0.46
PREP P48147 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
PGR P06401 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MMP2 P08253 1/20 0.41
BCHE P06276 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL6417173 0.85 KMT2A (0.57) KMT2AMEN1RAB9AL3MBTL1FABP3
SCHEMBL14936956 0.75 KMT2A (1.00) KMT2AMEN1RAB9AL3MBTL1FABP3
SCHEMBL6941070 0.75 KMT2A (0.85) KMT2AMEN1RAB9AL3MBTL1FABP3
SCHEMBL6414859 0.74 MEN1 (0.46) KMT2AMEN1RAB9AL3MBTL1PREP
Naphthalene SCHEMBL8370634 0.72 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12498504 0.70 KMT2A (0.62) KMT2AMEN1RAB9AL3MBTL1FABP3
SCHEMBL12497505 0.70 KMT2A (0.85) KMT2AMEN1RAB9AL3MBTL1FABP3
SCHEMBL21722269 0.69 KMT2A (0.61) KMT2AMEN1RAB9AL3MBTL1FABP3
SCHEMBL12497461 0.69 KMT2A (0.61) KMT2AMEN1RAB9AL3MBTL1FABP3
SCHEMBL20887175 0.69 SMN1; SMN2 (0.79) KMT2AMEN1RAB9AL3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5969114-A DISAZO DYES FOR BLACK COLOR INK JET PRINT ZENECA LIMITED (GB) 1999-10-19 US disclosed
EP-0888407-A1 AZO COMPOUND ZENECA LIMITED (GB) 1999-01-07 EP disclosed
WO-1997032932-A1 AZO COMPOUND ZENECA LIMITED (GB) 1997-09-12 WO disclosed