SCHEMBL7708682

SCHEMBL7708682

CCCC1(c2ccccc2)C(C#N)C(=O)NC(=O)C1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
LMNA P02545 4/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 3/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL7705330 0.89 MMP2 (0.48) MMP2MMP3MMP9ALDH1A1GAA
SCHEMBL7713916 0.88 LMNA (0.40) MMP2MMP3MMP9LMNAALDH1A1
SCHEMBL7711648 0.83 SIGMAR1 (0.39) ALDH1A1POLB
SCHEMBL7711500 0.81 LMNA (0.37) LMNAALDH1A1TSHRGAAHPGD
SCHEMBL7712011 0.81 BCL2L1 (0.34) LMNAALDH1A1TSHRGAAHPGD
SCHEMBL7711670 0.81 LMNA (0.35) MMP2MMP9LMNAALDH1A1TSHR
SCHEMBL7713901 0.78 ALDH1A1 (0.40) MMP2MMP3MMP9LMNAALDH1A1
SCHEMBL7711516 0.76 MMP2 (0.39) MMP2MMP9LMNAALDH1A1TSHR
SCHEMBL7712019 0.75 ALDH1A1 (0.38) MMP2MMP9LMNAALDH1A1TSHR
SCHEMBL7708697 0.73 ELANE (0.34) LMNAALDH1A1TSHRGAAHPGD

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
US-6365311-B1 THERMAL STABILITY; LOW COLOR; ABSENCE OF ENVIRONMENTALLY UNDESIRABLE TOXIC METALS; POLYETHERIFIED BISPHENOL A FUMARATE BINDER; POLYSILOXANE COATED STRONTIUM FERRITE CARRIER EASTMAN KODAK COMPANY 2002-04-02 US disclosed