SCHEMBL693020

SCHEMBL693020

O=C=NCC(Cc1ccccc1)N=C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CPA1 P15085 2/20 0.37
CPB1 P15086 1/20 0.37
CPA3 P15088 1/20 0.37
CPB2 Q96IY4 1/20 0.37
EPHX1 P07099 2/20 0.36
TAAR1 Q96RJ0 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MME P08473 1/20 0.36
ALPI P09923 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
SLC7A5 Q01650 1/20 0.35
SLC6A2 P23975 3/20 0.34
SIGMAR1 Q99720 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL15479086 0.85 CYP1A2 (0.42) CYP1A2CPA1CPA3EPHX1TAAR1
SCHEMBL28103077 0.84 CYP1A2 (0.36) CYP1A2CPA1CPB1CPA3CPB2
SCHEMBL11490619 0.83 ACACB (0.34) MEN1KMT2A
SCHEMBL11346397 0.81 TAAR1 (0.37) TAAR1MEN1KMT2A
SCHEMBL23123157 0.80 SIGMAR1 (0.43) CYP1A2EPHX1TAAR1MEN1KMT2A
SCHEMBL27400575 0.80 TRPA1 (0.44) CYP1A2CPA1CPB1CPA3CPB2
SCHEMBL27574232 0.76 CNR2 (0.42) CPA1MMESIGMAR1
SCHEMBL7661102 0.75 MTNR1A (0.45) CYP1A2CPA1CPB1CPA3CPB2
SCHEMBL2113933 0.75 EPHX1 (0.44) CYP1A2CPA1CPA3EPHX1TAAR1
SCHEMBL8837541 0.73 CPA3 (0.41) CYP1A2CPA1CPB1CPA3CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116730874-A Modified isocyanate monomer and preparation method thereof 大连理工大学 2023-09-12 CN claimed
CN-110684340-B Polyurethane-based graphite oriented heat-conducting interface material 上海阿莱德实业股份有限公司 2021-11-02 CN claimed
CN-110684340-A Polyurethane-based graphite oriented heat-conducting interface material 上海阿莱德实业股份有限公司 2020-01-14 CN claimed
CN-114555733-B Coating system based on bismuth-containing catalysts comprising at least one aromatic substituent 巴斯夫涂料有限公司 2024-05-07 CN disclosed
EP-3526268-B1 COATING AGENT SYSTEM BASED ON SALTS OF AN ALIPHATIC MONOCARBOXYLIC ACID BASF COATINGS GMBH (DE) 2023-09-20 EP disclosed
CN-116730874-A Modified isocyanate monomer and preparation method thereof 大连理工大学 2023-09-12 CN disclosed
EP-4008567-A1 TIRE WITH ETHYLENE-VINYL ALCOHOL COPOLYMER INNERLINER The Goodyear Tire & Rubber Company (US) 2022-06-08 EP disclosed
CN-109803991-B Coating agent system based on salts of aliphatic monocarboxylic acids 巴斯夫涂料有限公司 2022-06-03 CN disclosed
US-20220169076-A1 TIRE WITH ETHYLENE-VINYL ALCOHOL COPOLYMER INNERLINER THE GOODYEAR TIRE & RUBBER COMPANY 2022-06-02 US disclosed
US-20220056244-A1 RUBBER REINFORCEMENT ADHESIVE THE GOODYEAR TIRE & RUBBER COMPANY 2022-02-24 US disclosed
EP-3957494-A1 RUBBER REINFORCEMENT ADHESIVE The Goodyear Tire & Rubber Company (US) 2022-02-23 EP disclosed
EP-1442900-A2 Agricultural or industrial tire with polyester cord THE GOODYEAR TIRE & RUBBER COMPANY (US) 2004-08-04 EP disclosed
US-5236782-A MICROCAPSULES BAYER AKTIENGESELLSCHAFT (DE) 1993-08-17 US disclosed
US-5151142-A Fatigue resistance BRIDGESTONE CORPORATION (JP) 1992-09-29 US disclosed
US-5099058-A N, N-disubstituted oligourethanes and polyurethanes, a process for their preparation, and their use in the production of plastics BAYER AKTIENGESELLSCHAFT, LEVERKUSEN, GERMANY, A CORP. OF GERMANY 1992-03-24 US disclosed
EP-0162313-B1 PROCESS FOR THE PRODUCTION OF RUBBERREINFORCING POLYESTER CORD Toyo Boseki Kabushiki Kaisha (JP) 1991-08-07 EP disclosed
US-4992548-A Trimerization using catalyst comprising mixture of alkali fluoride and quaternary ammonium or phosphonium salt BAYER AKTIENGESELLSCHAFT (DE) 1991-02-12 US disclosed
US-4874832-A POLYETHERURETHANE COPOLYMERS; PRESSURE SENSITIVE COPY PAPER BAYER AKTIENGESELLSCHAFT (DE) 1989-10-17 US disclosed
US-4847152-A FOR CARBONLESS COPY PAPER BAYER AKTIENGESELLSCHAFT (DE) 1989-07-11 US disclosed
EP-0162313-A2 Process for the production of rubberreinforcing polyester cord Toyo Boseki Kabushiki Kaisha (JP) 1985-11-27 EP disclosed