Naphthalene

Naphthalene

SCHEMBL28031965

CCO.O=S(=O)(O)O.c1ccc2ccccc2c1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Naphthalene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.42
CYP2A6 P11509 2/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 3/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
GFER P55789 1/20 0.38

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 SCHEMBL27614891 0.87 PSIP1 (0.41) PSIP1CYP2A6ALOX12NPSR1SMN1; SMN2
Naphthalene SCHEMBL28179275 0.86 CYP2A6 (0.44) PSIP1CYP2A6ALOX12NPSR1SMN1; SMN2
Naphthalene SCHEMBL28674544 0.86 ALOX12 (0.57) CYP2A6ALOX12SMN1; SMN2TSHRGAA
Naphthalene SCHEMBL2678900 0.86 ALOX12 (0.57) CYP2A6ALOX12SMN1; SMN2TSHRGAA
Naphthalene SCHEMBL216220 0.86 CYP2A6 (0.57) CYP2A6ALOX12NPSR1SMN1; SMN2TSHR
Naphthalene SCHEMBL29361795 0.86 ALOX12 (0.57) CYP2A6ALOX12SMN1; SMN2TSHRGAA
Naphthalene SCHEMBL5574575 0.86 ALOX12 (0.57) CYP2A6ALOX12SMN1; SMN2TSHRGAA
Naphthalene SCHEMBL672294 0.86 ALOX12 (0.57) CYP2A6ALOX12SMN1; SMN2TSHRGAA
Betanaphthol SCHEMBL17419429 0.84 CYP1A2 (0.63) CYP2A6GAACYP1A2MEN1KMT2A
Naphthalene SCHEMBL15912635 0.83 MEN1 (0.41) PSIP1CYP2A6ALOX12NPSR1TSHR

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
CN-105696370-A Printing and dyeing production process for pure cotton fabric 都宝君 2016-06-22 CN claimed
CN-103938471-B A kind of dyeing and printing process of COTTON FABRIC CHANGXING HONGFENG PRINTING & DYEING CO., LTD. (CN) 2015-11-04 CN claimed
CN-105696370-A Printing and dyeing production process for pure cotton fabric 都宝君 2016-06-22 CN disclosed
CN-103938471-B A kind of dyeing and printing process of COTTON FABRIC CHANGXING HONGFENG PRINTING & DYEING CO., LTD. (CN) 2015-11-04 CN disclosed