SCHEMBL4311403

SCHEMBL4311403

C=CCSc1nccc(F)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 3/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 4/20 0.40
ABCB1 P08183 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL6680308 0.79 GAA (0.49) GAAL3MBTL1TP53KDM4ELMNA
SCHEMBL5738824 0.79 GAA (0.56) GAAL3MBTL1TP53KDM4ELMNA
SCHEMBL8194267 0.79 GAA (0.49) GAAL3MBTL1TP53KDM4ELMNA
SCHEMBL8118093 0.75 GAA (0.46) GAAL3MBTL1TP53KDM4ELMNA
SCHEMBL692444 0.74 L3MBTL1 (0.58) GAAL3MBTL1TP53KDM4EHPGD
SCHEMBL11191106 0.70 GAA (0.42) GAAL3MBTL1TP53KDM4ELMNA
SCHEMBL9277531 0.70 TP53 (0.48) GAAL3MBTL1TP53KDM4ELMNA
SCHEMBL13085024 0.69 NPSR1 (0.46) GAAL3MBTL1TP53KDM4ELMNA
SCHEMBL4771461 0.69
SCHEMBL7140223 0.68 HRH3 (0.51) GAAKDM4ELMNASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713794-B1 HETEROCYCLE GRAFTED MONOMERS AND RELATED POLYMERS AND HYBRID INORGANIC-ORGANIC POLYMER MEMBRANES TOYOTA TECHNICAL CT U S A INC (US) 2014-05-07 EP disclosed
US-7576165-B2 Having an acid group attached to the hybrid inorganic-organic matrix; and a nitrogen-containing heterocycle attached to the hybrid inorganic-organic matrix, wherein the nitrogen-containing heterocycle is selected from 1,2,4-triazole,1,2,3-triazole, 1H-benzotriazole, pyrimidine, for example; fuel cells GEORGIA INSTITUTE OF TECHNOLOGY (US) 2009-08-18 US disclosed
EP-1713794-A2 HETEROCYCLE GRAFTED MONOMERS AND RELATED POLYMERS AND HYBRID INORGANIC-ORGANIC POLYMER MEMBRANES Toyota Technical Center, U.S.A., Inc. (US) 2006-10-25 EP disclosed
US-20060111530-A1 Heterocycle grafted monomers and related polymers and hybrid inorganic-organic polymer membranes TOYOTA MOTOR CORPORATION (JP) 2006-05-25 US disclosed
WO-2005072413-A2 HETEROCYCLE GRAFTED MONOMERS AND RELATED POLYMERS AND HYBRID INORGANIC-ORGANIC POLYMER MEMBRANES TOYOTA TECHNICAL CENTER, USA, INC. (US) 2005-08-11 WO disclosed