Naphthalene

Naphthalene

SCHEMBL8323753

N#CC(C#N)=C(C#N)C#N.c1ccc2ccccc2c1

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ EGFR P00533 2/20 0.37
▸ TSHR P16473 3/20 0.36
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ APBA1 Q02410 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ TRPA1 O75762 1/20 0.33

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 SCHEMBL27412449 0.83 CYP2A6 (0.61) CYP2A6ALOX12ALDH1A1MEN1KMT2A
Pyrene SCHEMBL8319704 0.80 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ACYP1A2EGFR
Naphthalene SCHEMBL9699048 0.80 CYP2A6 (0.57) CYP2A6ALOX12ALDH1A1MEN1KMT2A
Naphthalene SCHEMBL27850037 0.80 CYP2A6 (0.57) CYP2A6ALOX12ALDH1A1MEN1KMT2A
Naphthalene SCHEMBL28058803 0.80 CYP2A6 (0.57) CYP2A6ALOX12ALDH1A1MEN1KMT2A
Naphthalene SCHEMBL11496484 0.77 CYP2A6 (0.44) CYP2A6ALOX12ALDH1A1MEN1KMT2A
SCHEMBL8320177 0.76 MCL1 (0.53) ALDH1A1MEN1KMT2ACA1CA2
Naphthalene SCHEMBL3996055 0.75 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1CA1CA2
Naphthalene SCHEMBL30165925 0.75 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1CA1CA2
Naphthalene SCHEMBL21641709 0.75 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5943154-A MULTILAYER LIGHT CONTROL ELEMENT KABUSHIKI KAISHA TOSHIBA (JP) 1999-08-24 — — US disclosed
EP-0450862-B1 Organic thin film element TOSHIBA KK (JP) 1999-06-30 — — EP disclosed
US-5155566-A ORGANIC THIN FILM ELEMENT KABUSHIKI KAISHA TOSHIBA (JP) 1992-10-13 — — US disclosed
EP-0450862-A2 Organic thin film element KABUSHIKI KAISHA TOSHIBA (JP) 1991-10-09 — — EP disclosed
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