SCHEMBL5615466

SCHEMBL5615466

[C]1=Cc2ccccc2C1c1cccc2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MMP2 P08253 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
MMP8 P22894 1/20 0.41
CCR1 P32246 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
HTT P42858 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL5615471 0.70 KDM4E (0.42) LMNAKDM4EMMP2TSHRMAPT
SCHEMBL11144286 0.70 CYP1A2 (0.40) KDM4ETSHRMAPTCYP3A4TDP1
Hydrochloric Acid SCHEMBL1072120 0.69 ALDH1A1 (0.43) LMNAKDM4EMMP2TSHRMAPT
SCHEMBL28517555 0.68 KDM4E (0.54) LMNAKDM4EMMP2TSHRMAPT
SCHEMBL6131357 0.68 ALDH1A1 (0.42) LMNAKDM4EMMP2TSHRMAPT
SCHEMBL6131362 0.68 LMNA (0.42) LMNAKDM4EMMP2TSHRMAPT
SCHEMBL12533961 0.67 TSHR (0.52) LMNAKDM4EMMP2TSHRMAPT
SCHEMBL12533960 0.67 TSHR (0.52) LMNAKDM4EMMP2TSHRMAPT
SCHEMBL867710 0.67 LMNA (0.52) LMNAKDM4EMMP2TSHRMAPT
SCHEMBL12533959 0.67 TSHR (0.52) LMNAKDM4EMMP2TSHRMAPT

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-2007111499-A1 PROCESS FOR THE PREPARATION OF A LINEAR POLYETHYLENE STICHTING DUTCH POLYMER INSTITUTE (NL) 2007-10-04 WO disclosed