SCHEMBL9503453

SCHEMBL9503453

O=C1c2cccc([N+](=O)[O-])c2C(=O)N1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.58
LMNA P02545 1/20 0.55
PTPRC P08575 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPT P10636 2/20 0.51
RECQL P46063 2/20 0.51
KMT2A Q03164 2/20 0.51
MCL1 Q07820 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CA2 P00918 5/20 0.50
CA9 Q16790 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
APEX1 P27695 1/20 0.50

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
SCHEMBL2283285 0.81 S100A4 (0.59) S100A4LMNAPTPRCKDM4EMAPT
SCHEMBL28322162 0.79 S100A4 (0.58) S100A4LMNAPTPRCKDM4EMAPT
SCHEMBL516272 0.79 LMNA (0.58) S100A4LMNAPTPRCKDM4EMAPT
SCHEMBL30708932 0.79 LMNA (0.58) S100A4LMNAPTPRCKDM4EMAPT
SCHEMBL3283681 0.79 KMT2A (0.60) S100A4LMNAPTPRCKDM4EMAPT
SCHEMBL9690907 0.78 ALDH1A1 (0.44) S100A4LMNAPTPRCMAPTKMT2A
SCHEMBL11053825 0.78 S100A4 (0.56) S100A4LMNAPTPRCKDM4EMAPT
SCHEMBL891427 0.77 SCN2A (0.50) S100A4PTPRCKDM4EKMT2ACYP1A2
SCHEMBL7079743 0.77 S100A4 (0.54) S100A4LMNAPTPRCKDM4EMAPT
SCHEMBL9806781 0.77 LMNA (0.81) S100A4LMNAPTPRCKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271901-A Alcohol-soluble environment-friendly printing ink and preparation method thereof 厦门欧化实业有限公司 2024-07-02 CN claimed
JP-60097647-A None JP disclosed
JP-59170119-A None JP disclosed
CN-118271901-A Alcohol-soluble environment-friendly printing ink and preparation method thereof 厦门欧化实业有限公司 2024-07-02 CN disclosed
EP-0375079-B1 ALKENYLPHOXYLIMIDE MODIFIED POLYIMIDE Technochemie GmbH - Verfahrenstechnik (DE) 1993-06-09 EP disclosed
US-5120824-A Molding materials based on unsaturated monomers containing imide groups; engineering thermoplastics; toughness; heat resistance TECHNOCHEMIE GMBH VERFAHRENSTECHNIK (DE) 1992-06-09 US disclosed
EP-0375079-A2 Alkenylphoxylimide modified polyimide Technochemie GmbH - Verfahrenstechnik (DE) 1990-06-27 EP disclosed
US-4870124-A POLYESTER AND HYDROGENATED ALPHA-OLEFIN OLIGOMER AS RELEASE AGENT GENERAL ELECTRIC COMPANY (US) 1989-09-26 US disclosed
US-4870123-A POLYPHENYLENE ETHER AND HYDROGENATED ALPHA-OLEFIN OLIGOMER AS RELEASE AGENT GENERAL ELECTRIC COMPANY (US) 1989-09-26 US disclosed
US-4870125-A THERMOPLASTIC POLYETHERIMIDE AND HYDROGENATED ALPHA-OLEFIN OLIGOMER RELEASE AGENT GENERAL ELECTRIC COMPANY (US) 1989-09-26 US disclosed
EP-0321707-A2 Thermoplastic resin composition containing mould release agents GENERAL ELECTRIC COMPANY (US) 1989-06-28 EP disclosed
US-4826913-A POLYARYL SULFONE AND HYDROGENATED OLIGOMER RELEASE AGENT GENERAL ELECTRIC COMPANY (US) 1989-05-02 US disclosed
JP-S6097647-A SEMICONDUCTOR DEVICE HITACHI LTD 1985-05-31 JP disclosed
JP-S59170119-A PREPARATION OF THERMOPLASTIC POLYETHER IMIDE POYMER HITACHI CHEM CO LTD 1984-09-26 JP disclosed