SCHEMBL28454558

SCHEMBL28454558

CCCNc1ccccc1C(=O)N(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.53
ADRA1D P25100 4/20 0.53
ADRA1B P35368 4/20 0.53
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CXCR2 P25025 5/20 0.44
TP53 P04637 1/20 0.43
IDO1 P14902 1/20 0.42
CXCR1 P25024 1/20 0.42
KDM6B O15054 1/20 0.42
KDM4C Q9H3R0 1/20 0.42

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
SCHEMBL28455283 0.86 ADRA1D (0.56) ADRA1AADRA1DADRA1BKDM4EGLA
SCHEMBL8828501 0.83 ADRA1D (0.50) ADRA1AADRA1DADRA1BKDM4EGLA
SCHEMBL1902821 0.81 HPGD (0.69) KDM4EGLAPOLBALDH1A1HPGD
SCHEMBL14470975 0.81 KDM4E (0.51) ADRA1AADRA1DADRA1BKDM4EGLA
SCHEMBL20274413 0.79 KDM4E (0.50) ADRA1AADRA1DADRA1BKDM4EGLA
SCHEMBL5392212 0.79 KDM4E (0.58) ADRA1AADRA1DADRA1BKDM4EGLA
SCHEMBL5258999 0.79 MAPT (0.60) ADRA1AADRA1DADRA1BALDH1A1HPGD
SCHEMBL29212431 0.79 ADRA1D (0.52) ADRA1AADRA1DADRA1BKDM4EGLA
SCHEMBL2493412 0.78 IDO1 (0.50) ADRA1AADRA1DADRA1BKDM4EGLA
SCHEMBL963365 0.78 L3MBTL1 (0.49) ADRA1AADRA1DADRA1BKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285508-A Preparation method of pyridyl pyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2023-12-26 CN claimed
CN-114516855-A Preparation of pyridylpyrazole amide compounds and intermediates therefor 湖南化工研究院有限公司 2022-05-20 CN claimed
CN-114516854-A Preparation method of 1-pyridyl pyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2022-05-20 CN claimed
CN-111662269-B 1-pyridyl pyrazole amide compound and preparation method and application thereof 湖南化工研究院有限公司 2021-05-07 CN claimed
CN-111662269-A 1-pyridyl pyrazole amide compound and preparation method and application thereof 湖南化工研究院有限公司 2020-09-15 CN claimed
CN-117285508-A Preparation method of pyridyl pyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2023-12-26 CN disclosed
CN-114516855-A Preparation of pyridylpyrazole amide compounds and intermediates therefor 湖南化工研究院有限公司 2022-05-20 CN disclosed
CN-114516854-A Preparation method of 1-pyridyl pyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2022-05-20 CN disclosed
CN-111662269-B 1-pyridyl pyrazole amide compound and preparation method and application thereof 湖南化工研究院有限公司 2021-05-07 CN disclosed
CN-111662269-A 1-pyridyl pyrazole amide compound and preparation method and application thereof 湖南化工研究院有限公司 2020-09-15 CN disclosed