Naphthalene

Naphthalene

SCHEMBL28109656

C#Cc1ccccn1.c1ccc2ccccc2c1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.48
KCNH2 Q12809 2/20 0.48
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
ALPL P05186 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALPI P09923 1/20 0.38

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
SCHEMBL29911538 0.93
SCHEMBL211092 0.93
Anthracene SCHEMBL28212240 0.91 GRM5 (0.46) GRM5KCNH2ALDH1A1CYP1A2KDM4E
Bromide SCHEMBL31122035 0.91
SCHEMBL28453493 0.91
SCHEMBL28163236 0.91
SCHEMBL27821882 0.91
SCHEMBL9092415 0.86 GRM5 (0.41) GRM5KCNH2CYP1A2KDM4ELMNA
Thiophene SCHEMBL3617842 0.81 MAPT (0.39) GRM5KCNH2ALDH1A1CYP1A2KDM4E
SCHEMBL1476650 0.81 GRM5 (0.42) GRM5KCNH2CYP1A2

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
CN-106232771-B The new chromophore architectures of lanthanide chelate 雷度米特图尔库公司 2019-04-30 CN disclosed
CN-106232771-A The new chromophore architectures in the lanthanide chelate field of the present invention 雷度米特图尔库公司 2016-12-14 CN disclosed