Naphthalene

Naphthalene

SCHEMBL17599787

C(=C/c1nccnc1/C=C/c1ccccc1)\c1ccccc1.c1ccc2ccccc2c1

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.52
KDM4E B2RXH2 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
GLA P06280 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GRM4 Q14833 7/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47

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
Naphthalene SCHEMBL17599788 1.00 RELA (0.52) RELAKDM4EMEN1KMT2AALDH1A1
SCHEMBL57903 0.93 MEN1 (0.56) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL57902 0.93 MEN1 (0.56) KDM4EMEN1KMT2AALDH1A1HPGD
Toluene SCHEMBL6858981 0.83 GRM4 (0.49) KDM4EMEN1KMT2AALDH1A1HPGD
Toluene SCHEMBL6858984 0.83 GRM4 (0.49) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL28241451 0.81 CHEK1 (0.48) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL3170397 0.80 S100A4 (0.69) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL3170396 0.80 S100A4 (0.69) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL29578079 0.80 S100A4 (0.69) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL10578638 0.79 KDM4E (0.47) KDM4EMEN1KMT2AALDH1A1HPGD

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
EP-1398363-B1 Light emitting element and iridium complex UDC IRELAND LTD (IE) 2016-03-23 EP disclosed