SCHEMBL28410658

SCHEMBL28410658

CC(N)c1ccc2[nH]c(N)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP6 P51161 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NUDT1 P36639 2/20 0.47
▸ MASP2 O00187 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ AOC3 Q16853 1/20 0.47
▸ PLAU P00749 1/20 0.42
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.37
▸ SCN10A Q9Y5Y9 2/20 0.37
▸ ABL1 P00519 1/20 0.35
▸ ADRB2 P07550 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ DHFR P00374 2/20 0.34

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
SCHEMBL29793642 1.00 FABP6 (0.49) FABP6ALDH1A1KMT2ANUDT1MASP2
SCHEMBL5683519 0.88 FABP6 (0.50) FABP6ALDH1A1KMT2ANUDT1MASP2
SCHEMBL28413241 0.83 ALDH1A1 (0.42) FABP6ALDH1A1KMT2AMEN1TDP1
SCHEMBL11252685 0.80 PTGS2 (0.47) FABP6ALDH1A1KMT2ANUDT1MASP2
SCHEMBL9289735 0.78 FABP6 (0.44) FABP6ALDH1A1KMT2ANUDT1MASP2
SCHEMBL129665 0.74 FABP6 (0.60) FABP6ALDH1A1KMT2ANUDT1MASP2
SCHEMBL5683024 0.74 SCN10A (0.59) FABP6ALDH1A1KMT2ANUDT1MASP2
SCHEMBL118057 0.74 MEN1 (0.57) FABP6ALDH1A1KMT2ANUDT1MASP2
SCHEMBL29449363 0.74 MEN1 (0.57) FABP6ALDH1A1KMT2ANUDT1MASP2
SCHEMBL23800775 0.73 XDH (0.50) FABP6ALDH1A1KMT2ANUDT1MASP2

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-108929263-B Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-07-22 — — CN disclosed
CN-111108092-A Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-05-05 — — CN disclosed
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