SCHEMBL10243115

SCHEMBL10243115

Nc1cc(CCO)ccc1Oc1ccc(C(F)(F)F)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
HPGD P15428 1/20 0.47
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.44
LIPE Q05469 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
SCN9A Q15858 4/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
THRB P10828 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
MRGPRX4 Q96LA9 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
SCHEMBL9923497 0.86 L3MBTL1 (0.49) L3MBTL1HPGDKMT2AMAPTLIPE
SCHEMBL876438 0.82 L3MBTL1 (0.46) L3MBTL1HPGDKMT2AMAPTLIPE
SCHEMBL876080 0.79 LIPE (0.57) MAPTLIPEMAPK1SCN9ALMNA
SCHEMBL10243167 0.78 L3MBTL1 (0.41) L3MBTL1MAPTSMN1; SMN2LMNAATM
SCHEMBL875200 0.76 L3MBTL1 (0.54) L3MBTL1HPGDKMT2AMAPTLIPE
SCHEMBL9110252 0.76 L3MBTL1 (0.64) L3MBTL1HPGDKMT2AMAPTLIPE
SCHEMBL28481117 0.76 KMT2A (0.59) L3MBTL1HPGDKMT2AMAPTLIPE
SCHEMBL10246021 0.75 L3MBTL1 (0.50) L3MBTL1HPGDKMT2AMAPTMAPK1
SCHEMBL9105550 0.73 L3MBTL1 (0.46) L3MBTL1HPGDKMT2AMAPTLIPE
SCHEMBL875974 0.72 L3MBTL1 (0.50) L3MBTL1HPGDKMT2AMAPTLIPE

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-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed