SCHEMBL14429970

SCHEMBL14429970

CNC(C)(C)/C=C(\C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
DEGS1 O15121 1/20 0.37
KCNN4 O15554 1/20 0.35
LMNA P02545 2/20 0.35
CYP2D6 P10635 1/20 0.35
GAA P10253 2/20 0.35
ESRRG P62508 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL713860 0.79 KDM1A (0.42) KDM1ADEGS1GAAESRRGTDP1
SCHEMBL9814341 0.77 KDM1A (0.41) KDM1ADEGS1GAAESRRGTDP1
SCHEMBL7551195 0.77 KDM1A (0.41) KDM1ADEGS1GAAESRRGTDP1
SCHEMBL28792582 0.77 KDM1A (0.41) KDM1ADEGS1GAAESRRGTDP1
SCHEMBL3442788 0.73 KDM1A (0.39) KDM1ADEGS1ESRRGALDH1A1MAPK1
SCHEMBL3442786 0.73 KDM1A (0.39) KDM1ADEGS1ESRRGALDH1A1MAPK1
SCHEMBL10604768 0.72 CES1 (0.41) KDM1ADEGS1TDP1ALDH1A1MAPK1
SCHEMBL17616707 0.72 CES1 (0.41) KDM1ADEGS1TDP1ALDH1A1MAPK1
SCHEMBL2989490 0.72 KDM1A (0.38) KDM1ADEGS1ESRRGALDH1A1MAPK1
SCHEMBL4252800 0.71 KDM1A (0.37) KDM1ADEGS1ESRRGALDH1A1MAPK1

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
EP-1816136-A1 GPR7-SELECTIVE LIGAND AND USE THEREOF BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-08 EP disclosed