SCHEMBL28433890

SCHEMBL28433890

COc1ccc(C=Cc2ccc3ccccc3n2)cc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.78
▸ CYSLTR2 Q9NS75 1/20 0.63
▸ CYSLTR1 Q9Y271 1/20 0.63
▸ TUBB1 Q9H4B7 4/20 0.61
▸ NPC1 O15118 4/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ APP P05067 3/20 0.59
▸ PIM1 P11309 1/20 0.58
▸ CLK1 P49759 1/20 0.58
▸ DYRK2 Q92630 1/20 0.58
▸ POLB P06746 1/20 0.57
▸ OPRK1 P41145 1/20 0.57

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
SCHEMBL30494272 1.00 GLA (0.78) GLACYSLTR2CYSLTR1TUBB1NPC1
SCHEMBL28433887 1.00 GLA (0.78) GLACYSLTR2CYSLTR1TUBB1NPC1
SCHEMBL11062170 0.90 GLA (0.78) GLACYSLTR2CYSLTR1NPC1MEN1
SCHEMBL10036065 0.90 GLA (0.78) GLACYSLTR2CYSLTR1NPC1MEN1
SCHEMBL30442596 0.88 GLA (1.00) GLACYSLTR2CYSLTR1NPC1MEN1
SCHEMBL29021873 0.88 GLA (1.00) GLACYSLTR2CYSLTR1NPC1MEN1
SCHEMBL10680162 0.84 GLA (0.70) GLACYSLTR2CYSLTR1NPC1MEN1
SCHEMBL12866125 0.83 RAB9A (0.69) GLACYSLTR2CYSLTR1NPC1MEN1
SCHEMBL3860498 0.83 RAB9A (0.69) GLACYSLTR2CYSLTR1NPC1MEN1
SCHEMBL8854403 0.81 GLA (0.81) GLACYSLTR2CYSLTR1NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111494381-B Application of alkenyl quinoline compound in preparation of antitumor drugs 南方医科大学 2023-07-28 — — CN disclosed
CN-111494381-A Application of alkenyl quinoline compound in preparation of antitumor drugs 南方医科大学 2020-08-07 — — CN disclosed
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