SCHEMBL8530900

SCHEMBL8530900

C[C@H](N)C(=O)Oc1ccccc1CN

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ELANE P08246 1/20 0.35
ACHE P22303 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL28017155 0.90 ALOX15 (0.45) HTTHPGDIRAK4ALOX15L3MBTL1
Hydrochloric Acid SCHEMBL29712425 0.87 L3MBTL1 (0.41) HTTHPGDL3MBTL1SMN1; SMN2TSHR
SCHEMBL12677517 0.84 KMT2A (0.41) HTTHPGDIRAK4ALOX15L3MBTL1
SCHEMBL27978860 0.83 KDM4E (0.37) HTTHPGDL3MBTL1TAAR1KDM4E
SCHEMBL9706821 0.83 L3MBTL1 (0.38) HTTHPGDIRAK4ALOX15L3MBTL1
SCHEMBL10589984 0.81 ADRA2C (0.47) L3MBTL1KDM4ETSHRTHRATHRB
SCHEMBL10782205 0.80 THRA (0.59) KDM4ETHRATHRB
SCHEMBL28024055 0.79 ELANE (0.44) HPGDALOX15L3MBTL1TAAR1KDM4E
SCHEMBL2910938 0.79 PTGS2 (0.52) HPGDKDM4ETSHRALDH1A1ELANE
SCHEMBL27365378 0.79 KMT2A (0.42) HTTL3MBTL1TAAR1KDM4ESMN1; SMN2

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
CN-107406429-B Pyridazinone derivatives and their use in the treatment of cancer 基因泰克公司 2021-07-06 CN disclosed
CN-104379146-B Inhibit the composition and method of varial polymerases 拜奥克里斯特制药公司 2018-07-10 CN disclosed
CN-107406429-A Pyridazinone derivative and its purposes in treating cancer 基因泰克公司 2017-11-28 CN disclosed
CN-106573073-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2017-04-19 CN disclosed
CN-104379146-A Compositions and methods for inhibiting viral polymerase BIOCRYST PHARM INC 2015-02-25 CN disclosed
US-5807875-A OBESITY THERAPY DR. KARL THOMAE GMBH (DE) 1998-09-15 US disclosed