SCHEMBL3731459

SCHEMBL3731459

Cc1cc(C(=O)O)sc1-c1cnn(Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
CREBBP Q92793 6/20 0.48
DHODH Q02127 1/20 0.47
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 1/20 0.45
IKBKE Q14164 2/20 0.45
TBK1 Q9UHD2 2/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PI4KA P42356 1/20 0.45
PIK3CG P48736 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLQ O75417 1/20 0.44
SCD O00767 1/20 0.43
SCD5 Q86SK9 1/20 0.43

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
SCHEMBL13260970 0.91 POLQ (0.48) L3MBTL1CREBBPDHODHHPGDNPC1
SCHEMBL3722206 0.75 POLQ (0.52) L3MBTL1CREBBPSMN1; SMN2POLQKDM4E
SCHEMBL1821560 0.74 KDM4E (0.71) HPGDNPC1SMN1; SMN2POLBKDM4E
SCHEMBL3724299 0.73 POLQ (0.50) L3MBTL1CREBBPSMN1; SMN2POLBTDP1
SCHEMBL4208205 0.73 PIK3CG (0.51) L3MBTL1CREBBPNPC1NAMPTPIK3CD
SCHEMBL3906989 0.73 PTPN1 (0.47) L3MBTL1CREBBPNAMPTPOLQ
SCHEMBL3724788 0.72 L3MBTL1 (0.52) L3MBTL1CREBBPDHODHNAMPTIKBKE
SCHEMBL10094644 0.71 CREBBP (0.69) L3MBTL1CREBBPPIK3CD
SCHEMBL3731303 0.70 PTGS1 (0.39) SMN1; SMN2POLBHSD17B10
SCHEMBL4638600 0.70 CREBBP (0.54) L3MBTL1CREBBPDHODHNAMPTIKBKE

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
WO-2010093885-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC (US) 2010-08-19 WO disclosed