SCHEMBL28769989

SCHEMBL28769989

CCN(C1=CC(=O)C=CC1=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ MAOA P21397 3/20 0.40
▸ MAOB P27338 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 4/20 0.38
▸ GLA P06280 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B3 P37058 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37

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
SCHEMBL6274683 0.83 MEN1 (0.41) MAOAMAOBALDH1A1HSD17B10L3MBTL1
SCHEMBL9632807 0.80 MAOA (0.45) MAOAMAOBALDH1A1TSHRGLA
SCHEMBL409370 0.72 NR3C2 (0.57) NR3C2KDM4CAPAF1CASP3CASP6
SCHEMBL6567347 0.72 NR3C2 (0.57) NR3C2KDM4CAPAF1CASP3CASP6
SCHEMBL28562469 0.71 ACHE (0.38) MAOAMAOBALDH1A1MAPTKDM4E
Iodide SCHEMBL31634397 0.70 NR3C2 (0.55) NR3C2KDM4CAPAF1CASP3CASP6
Bromide SCHEMBL6737911 0.70 NR3C2 (0.55) NR3C2KDM4CAPAF1CASP3CASP6
SCHEMBL7149333 0.70 NR3C2 (0.60) NR3C2KDM4CAPAF1CASP3CASP6
Hydrochloric Acid SCHEMBL27464725 0.70 NR3C2 (0.55) NR3C2KDM4CAPAF1CASP3CASP6
SCHEMBL28902453 0.66 NR3C2 (0.52) NR3C2KDM4CAPAF1CASP3CASP6

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-101161651-A Method for preparing 3-amido quinine medically-acceptable salt SHANGHAI INST PHARM INDUSTRY (CN) 2008-04-16 — — CN disclosed
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