Naphthalene

Naphthalene

SCHEMBL6639446

CCC1C(=O)NNC1=O.c1ccc2ccccc2c1

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
KDM4E B2RXH2 3/20 0.37
CREBBP Q92793 2/20 0.37
BRD4 O60885 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
BRPF1 P55201 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2A6 P11509 2/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL992512 0.83
Naphthalene SCHEMBL6638853 0.71 CREBBP (0.36) ALOX5CREBBPBRD4ALDH1A1HPGD
SCHEMBL11167420 0.70 MAPT (0.45) ALOX5ALDH1A1MEN1KMT2ATP53
Naphthalene SCHEMBL6635288 0.68 BRPF1 (0.42) KDM4ECREBBPBRD4ALDH1A1GRIN2D
Naphthalene SCHEMBL6636063 0.68 CYP1A2 (0.33) MEN1KMT2ACYP2A6CYP1A2SLC6A2
Naphthalene SCHEMBL28702923 0.67 CYP2A6 (0.57) ALDH1A1MEN1KMT2ATP53L3MBTL1
SCHEMBL17070912 0.67 EP300 (0.48) GAACES2
Naphthalene SCHEMBL11774251 0.66 CYP2A6 (0.67) ALDH1A1HPGDMEN1KMT2ATP53
Naphthalene SCHEMBL9538913 0.66 ALDH1A1 (0.53) KDM4EALDH1A1MEN1KMT2ATP53
SCHEMBL8365427 0.65 ALDH1A1 (0.58) KDM4EALDH1A1HPGDMEN1KMT2A

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
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