SCHEMBL18328879

SCHEMBL18328879

C=CC(=O)Oc1ccc(N=Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
THRB P10828 2/20 0.43
ELANE P08246 1/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
F2 P00734 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
POLB P06746 2/20 0.40
MGLL Q99685 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL343191 0.90 THRB (0.50) THRBMAPTALDH1A1F2PARP15
SCHEMBL14690375 0.87 ELANE (0.53) PPARATHRBELANEMAPTF2
SCHEMBL12312099 0.87 ELANE (0.53) PPARATHRBELANEMAPTF2
SCHEMBL816437 0.85 THRB (0.46) THRBMAPTALDH1A1F2PARP15
SCHEMBL103216 0.85 MMP2 (0.51) THRBF2PARP15PARP10PARP2
SCHEMBL9004219 0.83 THRB (0.57) PPARDPPARATHRBMAPTALDH1A1
SCHEMBL7560335 0.83 THRB (0.57) PPARDPPARATHRBMAPTALDH1A1
SCHEMBL13904873 0.82 THRB (0.49) PPARDPPARATHRBMAPTALDH1A1
SCHEMBL12354572 0.81 ALDH1A1 (0.50) THRBMAPTALDH1A1CYP1A2CYP2D6
SCHEMBL10898934 0.81 THRB (0.48) PPARDPPARATHRBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355907-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICALLY ANISOTROPIC BODY, PHASE DIFFERENCE FILM, ANTIREFLECTION FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT PRODUCED USING COMPOSITION DIC CORPORATION (JP) 2017-12-14 US disclosed
US-20170355907-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICALLY ANISOTROPIC BODY, PHASE DIFFERENCE FILM, ANTIREFLECTION FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT PRODUCED USING COMPOSITION DIC CORPORATION (JP) 2017-12-14 US disclosed
US-20160370626-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2016-12-22 US disclosed
US-20160370626-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2016-12-22 US disclosed