SCHEMBL6015535

SCHEMBL6015535

Nc1nc(O)nc2cccc(OCC3CCCO3)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 12/20 0.54
DHFR P00374 2/20 0.54
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
CYP2D6 P10635 1/20 0.40
PDPK1 O15530 1/20 0.40
ROCK2 O75116 1/20 0.40
INSR P06213 1/20 0.40
LCK P06239 1/20 0.40
RET P07949 1/20 0.40
IGF1R P08069 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 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
SCHEMBL6015544 0.94 DCPS (0.57) DCPSDHFRCYP2D6
SCHEMBL1154830 0.86 DCPS (0.66) DCPSDHFRCYP2D6
SCHEMBL6015543 0.81 DCPS (0.80) DCPSDHFRCYP2D6
SCHEMBL621583 0.79 BRD4 (0.44) DCPSDHFRF2F10PLG
SCHEMBL6015547 0.77 CHRNB2 (0.51) DCPSDHFRF2PLGPLAU
SCHEMBL6015539 0.77 CHRNB2 (0.51) DCPSDHFRF2PLGPLAU
SCHEMBL6015541 0.76 DCPS (0.59) DCPSDHFRCYP2D6
SCHEMBL2165209 0.76 DCPS (0.65) DCPSDHFRCYP2D6
SCHEMBL6015552 0.74 DCPS (0.54) DCPSDHFRF2PLGPLAU
SCHEMBL2165424 0.73 DCPS (0.64) DCPSDHFRCYP2D6

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-2012054526-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed