SCHEMBL542827

SCHEMBL542827

O=C=Nc1cc(N=C=O)c2cc(N=C=O)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.55
TRPA1 O75762 1/20 0.55
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL11603296 0.89 CYP3A4 (0.53) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL662858 0.88 CYP3A4 (0.54) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL9229577 0.82 MAPK1 (0.52) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL11229161 0.82 CYP3A4 (0.52) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL663309 0.81 CYP3A4 (0.46) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29642622 0.81 CYP3A4 (0.46) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL7159782 0.80 MAPK1 (0.50) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29642695 0.80 CYP3A4 (0.49) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL662710 0.80 CYP3A4 (0.49) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL108863 0.80 TDP1 (0.58) CYP3A4TRPA1TDP1MAPK1TSHR

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 360 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156751-A1 Aromatic Organosulfur Functionalized 1,4-cis Polybutadiene KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2009-06-18 US claimed
CN-101456928-A Aromatic organosulfur functionalized 1,4-cis polybutadiene KUMHO PETROCHEMICAL CO LTD (KR) 2009-06-17 CN claimed
EP-0761733-B1 Rubber compositions and pneumatic tires using the same BRIDGESTONE CORP (JP) 2007-05-09 EP claimed
US-5134189-A Isocyanate, Imino Compound, Polymeric Binder MITSUBISHI PAPER MILLS LIMITED (JP) 1992-07-28 US claimed
US-4742117-A MODIFIED WITH ISOCYANATE JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1988-05-03 US claimed
US-4369302-A Curable resin composition comprising cyanate ester and polyisocyanate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1983-01-18 US claimed
CN-116234846-B Resin composition and molded article 株式会社可乐丽 2024-07-02 CN disclosed
CN-113518615-B Cosmetic and cosmetic method for heating 株式会社资生堂 2024-05-14 CN disclosed
US-20230340253-A1 RESIN COMPOSITION AND SHAPED ARTICLE KURARAY CO., LTD. (JP) 2023-10-26 US disclosed
CN-116782866-A Sheet-like cosmetic 株式会社资生堂 2023-09-19 CN disclosed
CN-111263628-B Vesicle-containing composition 株式会社资生堂 2023-09-08 CN disclosed
EP-4219574-A1 RESIN COMPOSITION AND MOLDED ARTICLE Kuraray Co., Ltd. (JP) 2023-08-02 EP disclosed
CN-116234846-A Resin composition and molded article 株式会社可乐丽 2023-06-06 CN disclosed
US-4070344-A WITH POLYISOCYANATE, AMIDE, HYDROLYSIS THE FIRESTONE TIRE AND RUBBER COMPANY (US) 1978-01-24 US disclosed
US-4032574-A PRODUCTION OF POLYETHERPOLYOLS USEFUL IN PREPARING RIGID POLYURETHANE FOAMS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-06-28 US disclosed
US-4031035-A Polyurethane-amide resins based upon isocyanate terminated prepolymers of bis-(2-hydroxyethyl)terephthalate CELANESE CORPORATION (US) 1977-06-21 US disclosed
US-4011871-A CATIONIC POLYURETHANE FILM PERSONAL PRODUCTS COMPANY (US) 1977-03-15 US disclosed
US-4002171-A Water-dispersible ionic polyurethane binder for nonwoven fabrics PERSONAL PRODUCTS COMPANY (US) 1977-01-11 US disclosed
US-3969394-A Polyurethanes CELANESE CORPORATION (US) 1976-07-13 US disclosed
US-3948829-A POLYMERIC COMPOSITION HITCO (US) 1976-04-06 US disclosed