SCHEMBL9148849

SCHEMBL9148849

Cn1c(=O)c(C#N)c2c3c(c(Nc4ccccc4)ccc31)C(=O)c1ccccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 1/20 0.52
▸ MAPT P10636 9/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ PABPC1 P11940 2/20 0.48
▸ MEN1 O00255 12/20 0.44
▸ KMT2A Q03164 12/20 0.44
▸ USP2 O75604 8/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ KEAP1 Q14145 2/20 0.44
▸ NFE2L2 Q16236 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HTT P42858 7/20 0.43
▸ L3MBTL1 Q9Y468 6/20 0.43
▸ POLB P06746 5/20 0.43
▸ MAPK1 P28482 5/20 0.43
▸ RECQL P46063 5/20 0.43
▸ GAA P10253 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ HPGD P15428 2/20 0.43

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
SCHEMBL9296067 0.87 MEN1 (0.53) NR4A1MAPTSMN1; SMN2PABPC1MEN1
SCHEMBL10623389 0.85 NR4A1 (0.47) NR4A1MAPTSMN1; SMN2PABPC1MEN1
SCHEMBL6825327 0.84 MAPT (0.46) NR4A1MAPTSMN1; SMN2PABPC1MEN1
SCHEMBL6824878 0.80 MEN1 (0.67) NR4A1MAPTSMN1; SMN2PABPC1MEN1
SCHEMBL138484 0.79 MAP3K5 (0.65) NR4A1MAPTSMN1; SMN2PABPC1MEN1
SCHEMBL12311502 0.75 NR4A1 (0.79) NR4A1MAPTSMN1; SMN2PABPC1MEN1
SCHEMBL13382720 0.75 MEN1 (0.66) NR4A1MAPTSMN1; SMN2PABPC1MEN1
SCHEMBL14559159 0.74 MAP3K5 (0.61) NR4A1MAPTSMN1; SMN2PABPC1MEN1
SCHEMBL17808609 0.73 NR4A1 (0.52) NR4A1MAPTSMN1; SMN2PABPC1MEN1
SCHEMBL14621981 0.73 PABPC1 (0.42) MAPTPABPC1MEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5384377-A Anthraquinone and anthrapyridone compounds provide neutral to blue hue to yellow-appearing polyesters EASTMAN CHEMICAL COMPANY (US) 1995-01-24 — — US disclosed
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