Quinoline

Quinoline

SCHEMBL27940258

c1ccc2[nH]ccc2c1.c1ccc2ncccc2c1.c1ccncc1

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TRPA1 O75762 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ITGB2 P05107 1/20 0.53
ICAM1 P05362 1/20 0.53
ITGAL P20701 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
AHR P35869 1/20 0.53
ADK P55263 1/20 0.53
AXL P30530 1/20 0.43
NUDT1 P36639 1/20 0.43
PSMD14 O00487 1/20 0.39
NR4A2 P43354 1/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
HPGD P15428 2/20 0.37
METAP2 P50579 2/20 0.37
SMN1; SMN2 Q16637 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
Quinoline SCHEMBL28292512 0.92 ALDH1A1 (0.63) ALDH1A1TRPA1CA1CA2ITGB2
Quinoline SCHEMBL28816675 0.92 ALDH1A1 (0.63) ALDH1A1TRPA1CA1CA2ITGB2
Quinoline SCHEMBL843861 0.92 ALDH1A1 (0.63) ALDH1A1TRPA1CA1CA2ITGB2
Quinoline SCHEMBL28073739 0.92 ALDH1A1 (0.63) ALDH1A1TRPA1CA1CA2ITGB2
Quinoline SCHEMBL27739225 0.90 ALDH1A1 (0.61) ALDH1A1TRPA1CA1CA2ITGB2
Indole SCHEMBL31131470 0.87 AHR (0.71) ALDH1A1TRPA1CA1CA2ITGB2
Indole SCHEMBL28690779 0.87 AHR (0.71) ALDH1A1TRPA1CA1CA2ITGB2
Indole SCHEMBL27909376 0.87 AHR (0.71) ALDH1A1TRPA1CA1CA2ITGB2
Indole SCHEMBL69715 0.87 AHR (0.71) ALDH1A1TRPA1CA1CA2ITGB2
Quinoline SCHEMBL27929380 0.86 ALDH1A1 (0.52) ALDH1A1TRPA1CA1CA2ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103305261-B The synthesis of one class novel ion liquid and the application in oil denitrification thereof QINGDAO UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) 2016-01-27 CN claimed
CN-103305261-A Synthesis method of novel ionic liquid and application of novel ionic liquid to oil product denitrification UNIV QINGDAO SCIENCE & TECHNOLOGY 2013-09-18 CN claimed
CN-103305261-B The synthesis of one class novel ion liquid and the application in oil denitrification thereof QINGDAO UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) 2016-01-27 CN disclosed
CN-103305261-A Synthesis method of novel ionic liquid and application of novel ionic liquid to oil product denitrification UNIV QINGDAO SCIENCE & TECHNOLOGY 2013-09-18 CN disclosed