SCHEMBL28507484

SCHEMBL28507484

CCCCc1cc(C=O)cc2c1[nH]c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.49
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 0.45
GABRG3 Q99928 2/20 0.45
GABRQ Q9UN88 2/20 0.45
IDO1 P14902 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL5399915 0.96 KIF11 (0.48) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL28258746 0.95 CTSV (0.49) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL5157477 0.95 CTSV (0.49) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL28218441 0.92 KIF11 (0.51) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL8000392 0.91 KIF11 (0.53) KIF11MAPTMEN1KMT2AAHR
SCHEMBL8003441 0.91 KIF11 (0.53) KIF11MAPTMEN1KMT2AAHR
SCHEMBL8012023 0.91 KIF11 (0.53) KIF11MAPTMEN1KMT2AAHR
SCHEMBL5657947 0.91 KIF11 (0.53) KIF11MAPTMEN1KMT2AAHR
SCHEMBL3244334 0.88 KIF11 (0.55) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL28183977 0.84 KIF11 (0.51) 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-107406383-B Compound for lithography, resin, and underlayer film forming material 三菱瓦斯化学株式会社 2021-01-26 CN disclosed