SCHEMBL27577902

SCHEMBL27577902

c1ccc(-c2ccc(-c3cnc[nH]3)cc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.91
CYP3A4 P08684 2/20 0.91
LTA4H P09960 1/20 0.70
HPGDS O60760 1/20 0.67
ASIC3 Q9UHC3 2/20 0.64
POLB P06746 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CYP2E1 P05181 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2A6 P11509 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2B6 P20813 1/20 0.62
CYP2C19 P33261 1/20 0.62
CYP11B1 P15538 1/20 0.61
CYP11B2 P19099 1/20 0.61
MAPT P10636 1/20 0.55

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
SCHEMBL311306 0.96 IDO1 (1.00) IDO1CYP3A4LTA4HHPGDSASIC3
Hydrochloric Acid SCHEMBL31723290 0.93 IDO1 (0.95) IDO1CYP3A4LTA4HHPGDSASIC3
SCHEMBL17800997 0.91 IDO1 (0.75) IDO1CYP3A4LTA4HHPGDSASIC3
SCHEMBL21128574 0.86 IDO1 (0.74) IDO1CYP3A4LTA4HHPGDSASIC3
SCHEMBL27880327 0.84 IDO1 (0.67) IDO1CYP3A4LTA4HHPGDSASIC3
SCHEMBL9783626 0.81 IDO1 (0.72) IDO1CYP3A4LTA4HHPGDSASIC3
Propylamine SCHEMBL27620115 0.81 IDO1 (0.72) IDO1CYP3A4LTA4HHPGDSASIC3
SCHEMBL9783608 0.81 IDO1 (0.72) IDO1CYP3A4LTA4HHPGDSASIC3
SCHEMBL2358975 0.80 HPGDS (1.00) IDO1CYP3A4LTA4HHPGDSPOLB
Trifluoroacetic Acid SCHEMBL2074049 0.80 IDO1 (0.70) IDO1CYP3A4LTA4HHPGDSASIC3

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-117362675-A Preparation of cobalt-based metal organic framework material and application of cobalt-based metal organic framework material in resolution of cis-trans isomer of 1, 4-cyclohexanedicarboxylic acid 北京工业大学 2024-01-09 CN claimed
CN-114891230-B Functionalized MOF material, preparation method and application thereof as solid phase extraction adsorbent 山东省分析测试中心 2023-06-13 CN claimed
CN-114891230-A Functionalized MOF material, preparation method and application of functionalized MOF material as solid-phase extraction adsorbent 山东省分析测试中心 2022-08-12 CN claimed
CN-103204883-A Cobalt coordination polymer with reversible monocrystal-monocrystal transformation behavior UNIV NANKAI 2013-07-17 CN claimed
CN-102584902-A Microporous cobalt coordination polymer and preparation method and application thereof UNIV NANKAI 2012-07-18 CN claimed
CN-102584901-A Microporous nickel coordinate polymer as well as preparation method and application thereof UNIV NANKAI 2012-07-18 CN claimed
CN-117482548-A Production device and process for synthesizing aldehyde through hydroformylation of olefin 万华化学集团股份有限公司 2024-02-02 CN disclosed
CN-117362675-A Preparation of cobalt-based metal organic framework material and application of cobalt-based metal organic framework material in resolution of cis-trans isomer of 1, 4-cyclohexanedicarboxylic acid 北京工业大学 2024-01-09 CN disclosed
CN-114891230-B Functionalized MOF material, preparation method and application thereof as solid phase extraction adsorbent 山东省分析测试中心 2023-06-13 CN disclosed
CN-114891230-A Functionalized MOF material, preparation method and application of functionalized MOF material as solid-phase extraction adsorbent 山东省分析测试中心 2022-08-12 CN disclosed
CN-103204883-A Cobalt coordination polymer with reversible monocrystal-monocrystal transformation behavior UNIV NANKAI 2013-07-17 CN disclosed
CN-102584902-A Microporous cobalt coordination polymer and preparation method and application thereof UNIV NANKAI 2012-07-18 CN disclosed
CN-102584901-A Microporous nickel coordinate polymer as well as preparation method and application thereof UNIV NANKAI 2012-07-18 CN disclosed
CN-1457339-A Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2003-11-19 CN disclosed