SCHEMBL31511408

SCHEMBL31511408

O=c1oc2ccccc2c(-c2ccccc2)c1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.53
GABRP O00591 1/20 0.53
GABRD O14764 1/20 0.53
PARP1 P09874 1/20 0.53
GABRA1 P14867 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
GABRA4 P48169 1/20 0.53
GABRE P78334 1/20 0.53
GABRA6 Q16445 1/20 0.53
GABRG1 Q8N1C3 1/20 0.53
GABRG3 Q99928 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
GABRQ Q9UN88 1/20 0.53
MAPK14 Q16539 2/20 0.52

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
SCHEMBL1800595 0.90 CA1 (0.56) TNKSGABRPGABRDPARP1GABRA1
SCHEMBL13769238 0.84 MAOB (0.53) TNKSPARP1TNKS2CA1CA2
SCHEMBL28582663 0.83 GABRP (0.49) TNKSGABRPGABRDPARP1GABRA1
SCHEMBL11480111 0.83 MAOB (0.68) TNKSGABRPGABRDPARP1GABRA1
SCHEMBL28578268 0.82 MAPK14 (0.48) TNKSGABRPGABRDPARP1GABRA1
SCHEMBL4970512 0.81 CA1 (0.51) TNKSGABRPGABRDPARP1GABRA1
SCHEMBL7463411 0.80 MAOB (0.72) TNKSCA1CA2MAOBNPC1
SCHEMBL31511409 0.80 MAOB (0.72) TNKSCA1CA2MAOBNPC1
SCHEMBL14506703 0.80 MAOB (0.55) TNKSPARP1TNKS2MAOBESR1
SCHEMBL28915957 0.80 MAPK14 (0.46) TNKSGABRPGABRDPARP1GABRA1

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-119841797-A 3-Arylation/3-alkenylation coumarin compound, preparation method and application thereof 云南民族大学 2025-04-18 CN disclosed