SCHEMBL28455374

SCHEMBL28455374

CCN(CC)C(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.40
▸ CRHR1 P34998 2/20 0.36
▸ GHSR Q92847 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ SRC P12931 2/20 0.33
▸ PDE11A Q9HCR9 1/20 0.33

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
Diethylamine SCHEMBL28460164 0.97 DHODH (0.38) DHODHCRHR1GHSRHSP90AA1ALDH1A1
SCHEMBL28517963 0.92 DHODH (0.39) DHODHALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL10028783 0.90 DHODH (0.41) DHODHALDH1A1MEN1KMT2A
SCHEMBL950260 0.89 DHODH (0.41) DHODHKMT2A
SCHEMBL12574921 0.88 DHODH (0.43) DHODHALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL13318676 0.88 DHODH (0.38) DHODH
SCHEMBL950951 0.88 DHODH (0.40) DHODHKMT2A
SCHEMBL29912749 0.88 DHODH (0.41) DHODHALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL10028760 0.88 DHODH (0.41) DHODHALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL12528140 0.87 DHODH (0.39) DHODHKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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