SCHEMBL16638526

SCHEMBL16638526

CC(=O)Cc1ncn2c1CN=C(c1ccccc1)c1cc(C#C[Si](C)(C)C)ccc1-2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 10/20 0.56
GABRB3 P28472 10/20 0.56
GABRA3 P34903 10/20 0.56
GABRA1 P14867 7/20 0.56
GABRA5 P31644 7/20 0.56
GABRA2 P47869 7/20 0.56
GABRA6 Q16445 4/20 0.53
GABRA4 P48169 3/20 0.53
GABRB2 P47870 2/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL16638528 0.89 GABRG2 (0.57) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL16638527 0.87 GABRG2 (0.57) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL19368385 0.84 GABRG2 (0.59) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL2845754 0.82 GABRG2 (0.80) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL16638523 0.81 GABRG2 (0.60) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL16638524 0.81 GABRG2 (0.57) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL7722582 0.81 GABRG2 (0.79) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL7722597 0.80 GABRG2 (0.75) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL7721552 0.80 GABRG2 (0.79) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL2840544 0.80 GABRG2 (0.65) GABRG2GABRB3GABRA3GABRA1GABRA5

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
US-9006233-B2 Gabaergic receptor subtype selective ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2015-04-14 US disclosed