SCHEMBL8217119

SCHEMBL8217119

Brc1ccc(NCCCCCCOC2CCCCO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
KDM4C Q9H3R0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
P2RX3 P56373 8/20 0.35
TAAR1 Q96RJ0 1/20 0.33
FPR2 P25090 1/20 0.32
EPHA2 P29317 1/20 0.32

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
SCHEMBL1845329 0.84 MEN1 (0.45) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL4594361 0.81 MEN1 (0.68) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL23963158 0.79 MEN1 (0.42) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL32667257 0.79 MEN1 (0.48) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL4074508 0.79 MEN1 (0.48) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL4074507 0.79 MEN1 (0.48) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL4774827 0.79 MEN1 (0.64) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL17313725 0.76 MEN1 (0.62) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL4078714 0.75 KDM4C (0.49) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL4079349 0.75 KDM4C (0.49) KMT2AMEN1KDM4CL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000053672-A NEW COMPOUND, POLYMER, RESIN COMPOSITION AND NONLINEAR OPTICAL PART HITACHI CHEM CO LTD 2000-02-22 JP disclosed