SCHEMBL4316306

SCHEMBL4316306

C=CCOc1c(F)c(F)nc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
TLR4 O00206 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
MGMT P16455 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30

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
SCHEMBL5954786 0.81 TLR4 (0.34) MAPTMAPK1TLR4
SCHEMBL14585700 0.76 TLR4 (0.32) TLR4
SCHEMBL22722397 0.74 CA12 (0.32) TLR4
SCHEMBL18210491 0.74 HTR2C (0.41) MAPTMAPK1TLR4MEN1HTT
SCHEMBL20457120 0.74 MEN1 (0.36) MAPTMEN1HTTKMT2A
SCHEMBL16448289 0.72 TLR4 (0.30) TLR4
SCHEMBL10995320 0.71 TLR4 (0.33) TLR4
SCHEMBL10336944 0.69 MGAM (0.33) TLR4
SCHEMBL19871282 0.68 HTR2C (0.32) TLR4
SCHEMBL6581211 0.67 MEN1 (0.33) MAPTMEN1HTTKMT2A

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