SCHEMBL2465151

SCHEMBL2465151

C[Si](C)(C)C#Cc1ccc(NC(=O)O)c(N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.36
GABRA5 P31644 5/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA3 P34903 3/20 0.36
GABRA2 P47869 3/20 0.36
GABRA6 Q16445 3/20 0.36
GABRA4 P48169 2/20 0.36
HDAC1 Q13547 2/20 0.35
MAPT P10636 7/20 0.35
GAA P10253 6/20 0.35
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
NPC1 O15118 2/20 0.35
GFER P55789 2/20 0.35
THRB P10828 2/20 0.35
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL21753178 0.82 GABRA1 (0.37) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL2138866 0.81 GABRA5 (0.43) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL2465632 0.78 ALDH1A1 (0.45) MAPTGAAALDH1A1NPC1SMN1; SMN2
SCHEMBL2465627 0.78 ALDH1A1 (0.45) MAPTGAAALDH1A1NPC1SMN1; SMN2
SCHEMBL2469685 0.76 HDAC1 (0.40) HDAC1MAPTGAAKDM4EALDH1A1
SCHEMBL10006061 0.75 GABRA5 (0.43) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL8684123 0.74 TDP1 (0.43) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL1805369 0.74 KMT2A (0.49) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL14881372 0.73 TDP1 (0.38) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL25229723 0.73 RAB9A (0.40) GABRA1GABRA5GABRG2GABRB3GABRA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367599-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY Massachusetts Institute of Technology (US) 2011-09-28 EP disclosed
WO-2010065117-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-06-10 WO disclosed