SCHEMBL28323928

SCHEMBL28323928

O=C(O)c1cc(-n2cncn2)c(C(=O)O)cc1-n1cncn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
STING1 Q86WV6 1/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL29510565 0.94 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19CYP3A4STING1
SCHEMBL28183105 0.83 MYC (0.50) CYP1A2CYP2C9CYP2C19CYP3A4STING1
SCHEMBL29099977 0.82 MYC (0.51) CYP1A2CYP2C9CYP2C19CYP3A4STING1
SCHEMBL6929488 0.82 MYC (0.51) ALDH1A1KMT2AMEN1
SCHEMBL15284368 0.82 ALDH1A1 (0.45) CYP1A2CYP2C9CYP2C19CYP3A4STING1
SCHEMBL31175307 0.82 CYP3A4 (0.46) CYP1A2CYP2C9CYP2C19CYP3A4STING1
SCHEMBL15175702 0.82 CYP3A4 (0.46) CYP1A2CYP2C9CYP2C19CYP3A4STING1
SCHEMBL21816252 0.82 POLB (0.43) CYP1A2CYP2C9CYP2C19CYP3A4STING1
SCHEMBL21816364 0.82 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19CYP3A4STING1
SCHEMBL21816086 0.82 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19CYP3A4STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112852122-B Environment-friendly heat-insulating flame-retardant PBT waterproof and anti-seepage coiled material and production process thereof 苏州市新广益电子股份有限公司 2023-02-07 CN claimed
CN-107417712-B A kind of cadmium organic backbone complex and preparation method thereof 山西大学 2019-09-24 CN claimed
EP-4695023-A1 MODELING SELECTION OF POST COMBUSTION CARBON CAPTURE SORBENTS GE Vernova Technology GmbH (CH) 2026-02-18 EP disclosed
EP-4695731-A1 MACHINE LEARNING MODEL INCORPORATING PHYSICAL FEATURES OF SORBENTS FOR POST COMBUSTION CARBON CAPTURE GE Vernova Technology GmbH (CH) 2026-02-18 EP disclosed
EP-4601786-A1 SORBENT COMPOSITIONS, SYSTEMS, AND METHODS General Electric Technology GmbH (CH) 2025-08-20 EP disclosed
EP-4556112-A2 SORBENT COMPOSITIONS, SYSTEMS, AND METHODS General Electric Technology GmbH (CH) 2025-05-21 EP disclosed
WO-2024248789-A1 MACHINE LEARNING MODEL INCORPORATING PHYSICAL FEATURES OF SORBENTS FOR POST COMBUSTION CARBON CAPTURE GENERAL ELECTRIC TECHNOLOGY GMBH (CH) 2024-12-05 WO disclosed
WO-2024248830-A1 MODELING SELECTION OF POST COMBUSTION CARBON CAPTURE SORBENTS GE INFRASTRUCTURE TECHNOLOGY LLC (US) 2024-12-05 WO disclosed
WO-2024123909-A1 SORBENT COMPOSITIONS, SYSTEMS, AND METHODS GE INFRASTRUCTURE TECHNOLOGY LLC (US) 2024-06-13 WO disclosed
CN-112852122-B Environment-friendly heat-insulating flame-retardant PBT waterproof and anti-seepage coiled material and production process thereof 苏州市新广益电子股份有限公司 2023-02-07 CN disclosed
CN-112852122-B Environment-friendly heat-insulating flame-retardant PBT waterproof and anti-seepage coiled material and production process thereof 苏州市新广益电子股份有限公司 2023-02-07 CN disclosed
CN-112851862-A Environment-friendly flame-retardant plastic and preparation method thereof 李明杰 2021-05-28 CN disclosed
CN-107417712-B A kind of cadmium organic backbone complex and preparation method thereof 山西大学 2019-09-24 CN disclosed
CN-107417712-B A kind of cadmium organic backbone complex and preparation method thereof 山西大学 2019-09-24 CN disclosed
CN-107417712-A A kind of cadmium organic backbone complex and preparation method thereof 山西大学 2017-12-01 CN disclosed