Naphthalene

Naphthalene

SCHEMBL9068412

Cc1cccc(C)c1.N=C=O.N=C=O.N=C=O.c1ccc2ccccc2c1

nearest known ligand 0.55

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.55
CYP2A6 P11509 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.38
ALOX12 P18054 2/20 0.38
LMNA P02545 1/20 0.38
PARP1 P09874 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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 SCHEMBL27950601 1.00 ACHE (0.55) ACHECYP2A6TDP1MEN1NPC1
M-Xylene SCHEMBL28204206 0.91 ACHE (0.67) ACHETDP1NPC1ALDH1A1MAPK1
M-Xylene SCHEMBL31383510 0.91 ACHE (0.67) ACHETDP1NPC1ALDH1A1MAPK1
M-Xylene SCHEMBL163239 0.91 ACHE (0.67) ACHETDP1NPC1ALDH1A1MAPK1
M-Xylene SCHEMBL27020 0.91 ACHE (0.67) ACHETDP1NPC1ALDH1A1MAPK1
M-Xylene SCHEMBL28613777 0.88 ACHE (0.57) ACHEMEN1NPC1RAB9AKMT2A
M-Xylene SCHEMBL4769348 0.88 ACHE (0.63) ACHETDP1NPC1ALDH1A1MAPK1
Naphthalene SCHEMBL2841042 0.86 ACHE (0.55) ACHECYP2A6TDP1MEN1NPC1
Naphthalene SCHEMBL8092486 0.86 ACHE (0.55) ACHECYP2A6TDP1MEN1NPC1
Naphthalene SCHEMBL27395501 0.85 ACHE (0.75) ACHECYP2A6TDP1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585412-A REACTING POLYOL, ISOCYANATE, WATER, ENCAPSULATED BLOWING AGENT, RUPTURING SHELL OF BLOWING AGENT OLIN CORPORATION (US) 1996-12-17 US disclosed
US-5328938-A Monochlorodifluoromethane as foaming agents for closed cell or semi-rigid foams BASF CORPORATION (US) 1994-07-12 US disclosed
US-5264464-A Chlorodifluoromethane BASF CORPORATION (US) 1993-11-23 US disclosed
US-5183583-A Acid blocked amine catalyst BASF CORPORATION (US) 1993-02-02 US disclosed
WO-1992019681-A1 PROCESS FOR PRODUCING AN ANTIMICROBIALLY EFFECTIVE POLYURETHANE OLIN CORPORATION (US) 1992-11-12 WO disclosed
WO-1992019670-A1 ON-SITE GENERATION OF POLYURETHANE FOAM USING AN HCFC AS A SOLE BLOWING AGENT OLIN CORPORATION (US) 1992-11-12 WO disclosed
US-5162386-A Polyol, isocyanate and water; shrinkage inhibition; nonhydrolyzing BASF CORPORATION (US) 1992-11-10 US disclosed
US-5114984-A Dissolving pyrithione salt in alkanolamine; polymerization of polyol and polyisocyanate OLIN CORPORATION (US) 1992-05-19 US disclosed
US-5112878-A Free of CFC blowing agents OLIN CORPORATION (US) 1992-05-12 US disclosed
US-4766158-A CATALYTIC REACTION OF POLYISOCYANATES AND POLYEPOXIDE OLIN CORPORATION (US) 1988-08-23 US disclosed
US-4699931-A REACTING POLYISOCYANATE WITH POLYEPOXIDE-THERMAL STABILITY OLIN CORPORATION (US) 1987-10-13 US disclosed
US-4699932-A UREA-AND WATER-FREE OLIN CORPORATION (US) 1987-10-13 US disclosed