SCHEMBL9837521

SCHEMBL9837521

C=CCN(CC=C)c1ccc2ccc(=O)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.49
▸ CA12 O43570 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA13 Q8N1Q1 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ F11 P03951 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ DHFR P00374 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ ACHE P22303 1/20 0.34
▸ MAOB P27338 1/20 0.34

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
SCHEMBL4553044 0.76 AR (0.51) ARCA12CA9CA1CA3
SCHEMBL1771268 0.72 AR (0.70) AR
SCHEMBL10694157 0.69 CHKA (0.41) DHFRMAPT
SCHEMBL5386689 0.69 TERT (0.58) DHFRMAPTACHE
SCHEMBL22778032 0.69 CA12 (0.48) ARCA12CA9CA1CA3
SCHEMBL31426086 0.69 CA12 (0.48) ARCA12CA9CA1CA3
SCHEMBL10935728 0.69 INSR (0.46) MAPK1DHFRMAPT
SCHEMBL7854069 0.69 CA12 (0.52) CA12CA9CA1CA3CA4
SCHEMBL1775364 0.69 KIF11 (0.45) ARCA12CA9CA1CA3
SCHEMBL462461 0.69 KDM4E (0.65) CA12CA9CA1CA3CA4

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
EP-0156261-B1 FLUOROGENIC DIHYDROQUINOLONE AND DIHYDROCOUMARIN INDICATORS FOR HYDROGEN PEROXIDE MILES INC. (US) 1991-11-27 — — EP disclosed
US-4794079-A PEROXIDASE MILES INC. (US) 1988-12-27 — — US disclosed
US-4558130-A FLUORESCENCE ON OXIDATION BY HYDROGEN PEROXIDE; PEROXIDASE DETERMINATION MILES LABORATORIES, INC. (US) 1985-12-10 — — US disclosed
EP-0156261-A2 Fluorogenic dihydroquinolone and dihydrocoumarin indicators for hydrogen peroxide MILES INC. (US) 1985-10-02 — — EP disclosed
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