Quinoline

Quinoline

SCHEMBL28173578

Nc1ccc(-c2c3nc(c(-c4ccc(N)cc4)c4ccc([nH]4)c(-c4ccc(N)cc4)c4nc(c(-c5ccc(N)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.c1ccc2ncccc2c1

nearest known ligand 0.63

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.63
▸ ALDH1A1 P00352 4/20 0.45
▸ RIPK1 Q13546 1/20 0.45
▸ CYCS P99999 3/20 0.44
▸ ENPP2 Q13822 1/20 0.43
▸ TERT O14746 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ TP53 P04637 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HPGD P15428 2/20 0.41

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
Quinoline SCHEMBL28121893 0.97 TOP1 (0.60) TOP1ALDH1A1RIPK1CYCSENPP2
SCHEMBL7246186 0.85 TOP1 (0.56) TOP1CYCSENPP2TERTSTAT3
Quinoline SCHEMBL28167828 0.84 TOP1 (0.55) TOP1RIPK1CYCSENPP2TERT
SCHEMBL28022267 0.83 TOP1 (0.72) TOP1CYCSENPP2TERTHSD17B10
SCHEMBL28008849 0.83 TOP1 (0.72) TOP1CYCSENPP2TERTHSD17B10
SCHEMBL3999312 0.83 TOP1 (0.72) TOP1CYCSENPP2TERTHSD17B10
SCHEMBL30616040 0.83 TOP1 (0.72) TOP1CYCSENPP2TERTHSD17B10
SCHEMBL29962487 0.83 TOP1 (0.72) TOP1CYCSENPP2TERTHSD17B10
SCHEMBL27899186 0.83 TOP1 (0.72) TOP1CYCSENPP2TERTHSD17B10
SCHEMBL3424111 0.83 TOP1 (0.81) TOP1CYCSENPP2TERTSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107056794-B The tetramine monomers and its polymer and preparation method and application of a kind of super-branched polyimide containing porphyrin structure 吉林大学 2019-03-29 — — CN disclosed
CN-107056794-A The tetramine monomers and its polymer and preparation method and application of a kind of super-branched polyimide containing porphyrin structure 吉林大学 2017-08-18 — — CN disclosed
CN-103772399-B Preparation method and use of basic amino acid modified amidotetraphenylporphyrin compound 中国医学科学院生物医学工程研究所 2017-01-25 — — CN disclosed
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