SCHEMBL30560782

SCHEMBL30560782

c1ccc2c(c1)[nH]c1c3ccoc3ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.55
▸ GABRP O00591 2/20 0.49
▸ GABRD O14764 2/20 0.49
▸ GABRA1 P14867 2/20 0.49
▸ GABRB1 P18505 2/20 0.49
▸ GABRG2 P18507 2/20 0.49
▸ GABRB3 P28472 2/20 0.49
▸ GABRA5 P31644 2/20 0.49
▸ GABRA3 P34903 2/20 0.49
▸ GABRA2 P47869 2/20 0.49
▸ GABRB2 P47870 2/20 0.49
▸ GABRA4 P48169 2/20 0.49
▸ GABRE P78334 2/20 0.49
▸ GABRA6 Q16445 2/20 0.49
▸ GABRG1 Q8N1C3 2/20 0.49
▸ GABRG3 Q99928 2/20 0.49
▸ GABRQ Q9UN88 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ GPR3 P46089 1/20 0.45

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
SCHEMBL2050391 1.00 KIF11 (0.55) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL28060891 0.80 PARP14 (0.46) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL13563976 0.80 KIF11 (0.78) KIF11GABRPGABRDGABRA1GABRB1
Benzofuran SCHEMBL28723745 0.79 KIF11 (0.70) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL191347 0.76 KIF11 (0.71) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL29378455 0.76 KIF11 (0.71) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL20426692 0.75 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15200583 0.74 KIF11 (0.58) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL17433180 0.74 KIF11 (0.53) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL9550546 0.72 ALDH1A1 (0.56) KIF11GABRPGABRDGABRA1GABRB1

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-116715684-A Monovalent currency metal complex and preparation and application thereof 武汉大学 2023-09-08 — — CN disclosed
Send feedback