SCHEMBL880290

SCHEMBL880290

O=C1CC(c2ccccc2Br)c2ccc3ccccc3c2N1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.62
LMNA P02545 4/20 0.60
MAPT P10636 3/20 0.56
IDO1 P14902 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 1/20 0.53
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPC1 O15118 1/20 0.50
TP53 P04637 5/20 0.48
POLB P06746 1/20 0.48
MTNR1A P48039 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL880307 0.89 IDO1 (0.70) HSD17B10LMNAMAPTIDO1SMN1; SMN2
SCHEMBL880232 0.84 HSD17B10 (0.62) HSD17B10LMNAMAPTIDO1SMN1; SMN2
SCHEMBL15359680 0.84 HSD17B10 (0.62) HSD17B10LMNAMAPTIDO1SMN1; SMN2
SCHEMBL880297 0.84 LMNA (0.64) HSD17B10LMNAMAPTIDO1SMN1; SMN2
SCHEMBL14047395 0.84 HSD17B10 (0.62) HSD17B10LMNAMAPTIDO1SMN1; SMN2
SCHEMBL880273 0.83 HSD17B10 (0.58) HSD17B10LMNAMAPTIDO1SMN1; SMN2
SCHEMBL852442 0.82 LMNA (0.72) HSD17B10LMNAMAPTIDO1SMN1; SMN2
SCHEMBL880437 0.82 LMNA (0.61) HSD17B10LMNAMAPTIDO1SMN1; SMN2
SCHEMBL14450608 0.82 LMNA (0.61) HSD17B10LMNAMAPTIDO1SMN1; SMN2
SCHEMBL880355 0.82 HSD17B10 (0.59) HSD17B10LMNAMAPTIDO1SMN1; SMN2

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-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed