SCHEMBL29401543

SCHEMBL29401543

NC(N)=NCCCC[C@@H](N)C(=O)O

nearest known ligand 0.89

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 9/20 0.89
▸ CYP2C19 P33261 3/20 0.89
▸ CYP1A2 P05177 2/20 0.89
▸ TSHR P16473 2/20 0.89
▸ GLA P06280 1/20 0.89
▸ NFKB1 P19838 1/20 0.89
▸ APEX1 P27695 1/20 0.89
▸ NOS1 P29475 9/20 0.73
▸ NOS3 P29474 5/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ BLM P54132 1/20 0.71
▸ DDAH1 O94760 6/20 0.69
▸ MEN1 O00255 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ CHRM2 P08172 1/20 0.61
▸ CHRM4 P08173 1/20 0.61
▸ CHRM1 P11229 1/20 0.61
▸ THPO P40225 1/20 0.59

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
SCHEMBL21802133 1.00 NOS2 (0.89) NOS2CYP2C19CYP1A2TSHRGLA
SCHEMBL43288 1.00 NOS2 (0.89) NOS2CYP2C19CYP1A2TSHRGLA
Hydrochloric Acid SCHEMBL25365246 0.98 NOS2 (0.85) NOS2CYP2C19CYP1A2TSHRGLA
SCHEMBL27888576 0.98 NOS2 (0.85) NOS2CYP2C19CYP1A2TSHRGLA
Hydrochloric Acid SCHEMBL8662504 0.98 NOS2 (0.85) NOS2CYP2C19CYP1A2TSHRGLA
Arginine SCHEMBL43261 0.94 NOS2 (1.00) NOS2CYP2C19CYP1A2TSHRGLA
Arginine SCHEMBL30577923 0.94 NOS2 (1.00) NOS2CYP2C19CYP1A2TSHRGLA
Arginine SCHEMBL30679324 0.94 NOS2 (1.00) NOS2CYP2C19CYP1A2TSHRGLA
Arginine SCHEMBL30631154 0.94 NOS2 (1.00) NOS2CYP2C19CYP1A2TSHRGLA
Arginine SCHEMBL288835 0.94 NOS2 (1.00) NOS2CYP2C19CYP1A2TSHRGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 — — EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 — — US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 — — CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 — — WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 — — US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 — — WO disclosed
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