SCHEMBL28969553

SCHEMBL28969553

C=C(C(=O)OCC)c1c[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.50
▸ GABRD O14764 2/20 0.50
▸ GABRA1 P14867 2/20 0.50
▸ GABRB1 P18505 2/20 0.50
▸ GABRG2 P18507 2/20 0.50
▸ GABRB3 P28472 2/20 0.50
▸ GABRA5 P31644 2/20 0.50
▸ GABRA3 P34903 2/20 0.50
▸ GABRA2 P47869 2/20 0.50
▸ GABRB2 P47870 2/20 0.50
▸ GABRA4 P48169 2/20 0.50
▸ GABRE P78334 2/20 0.50
▸ GABRA6 Q16445 2/20 0.50
▸ GABRG1 Q8N1C3 2/20 0.50
▸ GABRG3 Q99928 2/20 0.50
▸ GABRQ Q9UN88 2/20 0.50

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
SCHEMBL28969556 0.81 GABRA1 (0.46) GABRA1GABRB1GABRA3GABRB2
SCHEMBL30125610 0.80 GABRA1 (0.68) GABRA1GABRB1GABRA3GABRB2
SCHEMBL23924205 0.80 GABRA1 (0.68) GABRA1GABRB1GABRA3GABRB2
SCHEMBL28026392 0.80 NR4A2 (0.64) —
SCHEMBL615804 0.79 NR4A2 (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13222752 0.79 NQO2 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28590573 0.78 ALDH1A1 (0.51) —
SCHEMBL7170554 0.77 NR4A2 (0.57) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5213756 0.77 NQO2 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2841773 0.77 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2

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-115785079-A 4- (1H-indole-5-yl) amino furan-2 (5H) -ketone compound and preparation and application thereof 沈阳药科大学 2023-03-14 — — CN disclosed
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