Naphthalene

Naphthalene

SCHEMBL28793702

NOC(N)=O.c1ccc2ccccc2c1

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
PARP1 P09874 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 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
Naphthalene SCHEMBL4609645 0.82 CYP2A6 (0.57) CYP2A6ALOX12MAPTTDP1TSHR
Naphthalene SCHEMBL29011577 0.79 CYP2C19 (0.55) CYP2A6ALOX12MAPTTDP1TSHR
Naphthalene SCHEMBL3359766 0.79 CYP2C19 (0.55) CYP2A6ALOX12MAPTTDP1TSHR
Toluene SCHEMBL11292718 0.77 LMNA (0.52) ALOX12MAPTTDP1TSHRHSD17B10
Benzoic Acid SCHEMBL6120549 0.77 TSHR (0.67) MAPTTDP1TSHRHSD17B10POLB
Naphthalene SCHEMBL717001 0.77 BLM (0.50) CYP2A6ALOX12MAPTTDP1TSHR
SCHEMBL118308 0.74
Naphthalene SCHEMBL9435323 0.74 ALOX15 (0.65) MAPTTSHRHSD17B10CYP3A4MEN1
Benzyl Alcohol SCHEMBL2198856 0.74 TSHR (0.61) TSHRCES2CES1ALDH1A1CYP1A2
Terephthalamide SCHEMBL7564599 0.72 PARP1 (0.70) MAPTTDP1TSHRHSD17B10POLB

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-102367637-B Treating agent for polyurethane elastomer fiber, method for treating polyurethane elastomer fiber, and polyurethane elastomer fiber TAKEMOTO OIL & FAT CO LTD 2015-01-28 CN disclosed
CN-102367637-A Treating agent for polyurethane elastomer fiber, method for treating polyurethane elastomer fiber, and polyurethane elastomer fiber TAKEMOTO OIL & FAT CO LTD 2012-03-07 CN disclosed