SCHEMBL170604

SCHEMBL170604

COc1ccc2c(c(O)c(C(=O)c3ccccc3)n2-c2ccccc2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39

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
SCHEMBL170605 0.71 TP53 (0.46) MAPTKDM4ELMNAHTTHPGD
SCHEMBL6444260 0.70 MAPT (0.77) MAPTKDM4EHSD17B10ALOX15MAPK1
SCHEMBL170978 0.70 KMT2A (0.51) MAPTKDM4EMAPK1LMNASMN1; SMN2
SCHEMBL9339159 0.67 MAPT (0.77) MAPTKDM4EHSD17B10ALOX15MAPK1
SCHEMBL2446110 0.67 MAPT (0.66) MAPTKDM4EHSD17B10ALOX15MAPK1
SCHEMBL30023422 0.67 MAPT (0.66) MAPTKDM4EHSD17B10ALOX15MAPK1
SCHEMBL9343741 0.66 CA12 (0.63) MAPTKDM4EHSD17B10ALOX15MAPK1
SCHEMBL28401771 0.66 MAPT (0.64) MAPTKDM4EHSD17B10ALOX15MAPK1
SCHEMBL28002548 0.65 TSHR (0.51) MAPTKDM4EHSD17B10ALOX15MAPK1
SCHEMBL29260274 0.65 MAPT (0.67) MAPTKDM4EHSD17B10ALOX15MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 US disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed