SCHEMBL10596363

SCHEMBL10596363

Cc1ccc(C)c(C)c1C.N=C=O.N=C=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.40
NSD2 O96028 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PAX8 Q06710 1/20 0.40
TSHR P16473 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 1/20 0.35
DAO P14920 1/20 0.34
CYP3A4 P08684 2/20 0.33
TRPA1 O75762 2/20 0.33
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MCL1 Q07820 1/20 0.30
ACHE P22303 1/20 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
SCHEMBL30046229 1.00 TDP2 (0.40) TDP2NSD2HSP90AA1PAX8TSHR
SCHEMBL29171482 1.00 TDP2 (0.40) TDP2NSD2HSP90AA1PAX8TSHR
SCHEMBL28760807 0.83 GABRA1 (0.32) TDP2NSD2HSP90AA1PAX8ALDH1A1
SCHEMBL112222 0.82 TRPA1 (0.46) TSHRCYP1A2CYP2A6CYP3A4TRPA1
SCHEMBL29773079 0.82 TRPA1 (0.46) TSHRCYP1A2CYP2A6CYP3A4TRPA1
SCHEMBL57485 0.82 TRPA1 (0.46) TSHRCYP1A2CYP2A6CYP3A4TRPA1
Benzene SCHEMBL28983347 0.80 TRPA1 (0.44) TSHRCYP1A2CYP2A6CYP3A4TRPA1
SCHEMBL37955 0.79 TSHR (0.45) TDP2NSD2HSP90AA1PAX8TSHR
SCHEMBL5494672 0.79 TSHR (0.45) TDP2NSD2HSP90AA1PAX8TSHR
SCHEMBL29352563 0.79 TSHR (0.45) TDP2NSD2HSP90AA1PAX8TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113544200-B Metal-coated polyester film 东洋纺株式会社 2023-09-12 CN disclosed
CN-115210326-A Polyurethane dispersions 科思创德国股份有限公司 2022-10-18 CN disclosed
CN-110099939-B Block polymers having photoinitiator groups in the main chain and their use in adhesive compositions 艾利丹尼森公司 2022-09-06 CN disclosed
CN-111849329-B In-situ-regulated water-based super-amphiphobic coating and preparation method thereof 东南大学 2021-11-02 CN disclosed
CN-108424507-B Method for preparing aqueous polyurethane dispersion by solvent-free process 和友纺织股份有限公司 2021-02-23 CN disclosed
CN-111849329-A In-situ-regulated water-based super-amphiphobic coating and preparation method thereof 东南大学 2020-10-30 CN disclosed
CN-108884597-A Organic silicon modified polyurethane series fiber and its manufacturing method 信越化学工业株式会社 2018-11-23 CN disclosed
CN-103173181-B Polyurethane sealant and preparation method thereof GUANGDONG XINZHAN NEW CHEMICAL MATERIAL CO LTD 2014-12-03 CN disclosed
CN-103173181-A Polyurethane sealant and preparation method thereof GUANGDONG XINZHAN NEW CHEMICAL MATERIAL CO LTD 2013-06-26 CN disclosed
CN-101836157-B Sealing material for liquid crystal dispensing method, transfer material and liquid crystal displays SEKISUI CHEMICAL CO LTD 2012-07-18 CN disclosed
CN-101836157-A Sealing material for liquid crystal dispensing method, transfer material and liquid crystal displays SEKISUI CHEMICAL CO LTD 2010-09-15 CN disclosed
CN-101266417-A Toner for developing electrostatic charge image, developer and image forming apparatus RICOH KK (JP) 2008-09-17 CN disclosed
US-4814412-A MEMBRANES, FILTERS W. L. GORE & ASSOCIATES, INC. (US) 1989-03-21 US disclosed
US-4243578-A ACRYLIC CARBAMATE MONOMERS, FREE RADICAL CATALYSTS, GLASS POWDER FILLER LOCTITE CORPORATION (US) 1981-01-06 US disclosed
US-4043982-A ADHESIVES, SEALANTS, POTTING COMPOUNDS LOCTITE (IRELAND) LIMITED (EI) 1977-08-23 US disclosed
US-3931678-A Dental filling method and composition formed thereby LOCTITE (IRELAND) LIMITED (EI) 1976-01-13 US disclosed