Naphthalene

Naphthalene

SCHEMBL6636063

CCCC1NNC1=O.c1ccc2ccccc2c1

nearest known ligand 0.33

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 2/20 0.33
ELANE P08246 1/20 0.33
ADAMTS4 O75173 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM17 P78536 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
CYP2A6 P11509 1/20 0.31
MLNR O43193 1/20 0.30
AKT1 P31749 2/20 0.30

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 SCHEMBL6635288 0.71 BRPF1 (0.42) SLC6A2SLC6A4SLC6A3CYP2A6
Naphthalene SCHEMBL6639446 0.68 ALOX5 (0.38) CYP1A2MEN1KMT2ASLC6A2SLC6A4
SCHEMBL30634575 0.66 KDM4E (0.56) MEN1KMT2ASMN1; SMN2
Naphthalene SCHEMBL6634295 0.65 PRCP (0.34) CYP1A2CYP2C19MEN1CYP2C9KMT2A
SCHEMBL4610136 0.65
Naphthalene SCHEMBL1538234 0.64 CYP2A6 (0.61) CYP1A2MEN1KMT2ACYP2A6
SCHEMBL25449261 0.64 ALDH1A1 (0.40) MMP3MEN1KMT2ASMN1; SMN2MLNR
Naphthalene SCHEMBL11774251 0.61 CYP2A6 (0.67) CYP1A2MEN1KMT2ACYP2A6
Naphthalene SCHEMBL3417714 0.60 HTT (0.54) CYP1A2MEN1KMT2ASMN1; SMN2NPSR1
Naphthalene SCHEMBL28280654 0.60 CYP2A6 (0.53) CYP1A2CYP2C19MEN1CYP2C9KMT2A

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
EP-1420044-A2 Rubber composition and pneumatic tire Bridgestone Corporation (JP) 2004-05-19 EP disclosed
US-6380288-B1 LOW HEAT GENERATION PROPERTY, AGING REISTANCE, ALSO FOR PRODUCING VIBRATION ISOLATORS, BELTS AND HOSES AS WELL AS TIRE MATERIALS SUCH AS TIRE TREADS, UNDERTREADS, CARCASSES, SIDE WALLS AND BEADS BRIDGESTONE CORPORATION 2002-04-30 US disclosed
EP-0909788-A1 RUBBER COMPOSITION AND PNEUMATIC TIRES Bridgestone Corporation (JP) 1999-04-21 EP disclosed