Quinoline

Quinoline

SCHEMBL27875441

N#Cc1cccc2c(OC(=O)C(O)C(O)C(=O)O)c[nH]c12.c1ccc2ncccc2c1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ NFATC1 O95644 1/20 0.37
▸ TET2 Q6N021 1/20 0.34
▸ TET1 Q8NFU7 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ADORA2A P29274 2/20 0.31
▸ KDR P35968 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ SLC22A12 Q96S37 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ METAP2 P50579 1/20 0.30

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
SCHEMBL28147368 0.83 DYRK1A (0.40) DYRK1AGSK3BNFATC1MAPK1ALDH1A1
Cadaverine Tartrate SCHEMBL27875442 0.79 ALDH1A1 (0.38) DYRK1AGSK3BNFATC1ALDH1A1ADORA2A
Cadaverine Tartrate SCHEMBL5874237 0.71 ALDH1A1 (0.63) MAPK10ALDH1A1MAPTNPSR1KDM4E
Cadaverine Tartrate SCHEMBL5874249 0.71 ALDH1A1 (0.63) MAPK10ALDH1A1MAPTNPSR1KDM4E
Cadaverine Tartrate SCHEMBL28081412 0.71 ALDH1A1 (0.63) MAPK10ALDH1A1MAPTNPSR1KDM4E
SCHEMBL27939095 0.69 SLC22A6 (0.54) DYRK1AGSK3BNFATC1MAPK1ALDH1A1
Quinoline SCHEMBL28251318 0.67 ALDH1A1 (0.57) LRRK2MAPK1ALDH1A1MAPTKDM4E
Quinoline SCHEMBL27950148 0.67 ALDH1A1 (0.49) DYRK1AGSK3BNFATC1LRRK2MAPK1
SCHEMBL8664315 0.66 ALDH1A1 (0.51) MAPK1ALDH1A1MAPTKDM4E
Cadaverine Tartrate SCHEMBL28147371 0.65 KEAP1 (0.47) SLC22A12CA1CA2

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-102702067-A Novel intermediate for synthesizing silodosin as well as preparation method and purpose of novel intermediate BEIJING LIANBEN MEDICAL CHEMICAL TECHNOLOGY CO LTD 2012-10-03 — — CN disclosed
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