SCHEMBL30594083

SCHEMBL30594083

CC1=C(Nc2ccccc2)C(=O)c2c(O)cccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ MAOA P21397 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ MAPK1 P28482 4/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ ALOX15 P16050 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAOB P27338 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ STAT3 P40763 2/20 0.50
▸ IDO1 P14902 1/20 0.50
▸ ELANE P08246 6/20 0.48
▸ CTSG P08311 5/20 0.48
▸ KDM4E B2RXH2 2/20 0.48

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
SCHEMBL16478880 0.80 STAT3 (0.55) MEN1KMT2AMAOAALDH1A1MAPT
SCHEMBL30003218 0.78 MAOA (0.72) MEN1KMT2AMAOAALDH1A1MAPT
SCHEMBL5793791 0.78 MAOA (0.72) MEN1KMT2AMAOAALDH1A1MAPT
SCHEMBL11603783 0.77 MAOA (0.59) MEN1KMT2AMAOAALDH1A1MAPT
SCHEMBL23881627 0.76 ALDH1A1 (0.56) MEN1KMT2AMAOAALDH1A1MAPT
Droserone SCHEMBL30003199 0.75 MAOA (0.67) MEN1KMT2AMAOAALDH1A1MAPT
Droserone SCHEMBL5858407 0.75 MAOA (0.67) MEN1KMT2AMAOAALDH1A1MAPT
SCHEMBL16869863 0.73 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL17249982 0.73 STAT3 (0.61) MEN1KMT2AMAOAALDH1A1MAPT
SCHEMBL24389188 0.73 MAPT (0.64) MEN1KMT2AMAOAALDH1A1MAPT

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
CN-110950749-B IDO inhibitor and preparation method and application thereof 中国科学院广州生物医药与健康研究院 2023-07-25 — — CN disclosed
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