SCHEMBL880439

SCHEMBL880439

O=C1CC(c2cccc(Br)c2)c2cc3c(cc2N1)OCO3

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
ALDH1A1 P00352 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
SMN1; SMN2 Q16637 6/20 0.66
TP53 P04637 4/20 0.66
MAPT P10636 3/20 0.66
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
THRB P10828 1/20 0.55
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTT P42858 1/20 0.53

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
SCHEMBL10090752 0.86 LMNA (0.76) LMNAALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL19286329 0.85 LMNA (0.71) LMNAALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL880292 0.85 LMNA (0.71) LMNAALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL880309 0.85 LMNA (0.71) LMNAALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL852839 0.79 KMT2A (1.00) LMNAALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL880284 0.79 TP53 (0.85) LMNAALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL10090742 0.78 TP53 (0.76) LMNAALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL18522860 0.77 SMN1; SMN2 (0.76) LMNAALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL29433759 0.77 SMN1; SMN2 (0.76) LMNAALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL880278 0.76 SMN1; SMN2 (0.73) LMNAALDH1A1L3MBTL1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9744171-B2 Positive allosteric modulators for melanocortin receptors VANDERBILT UNIVERSITY (US) 2017-08-29 US disclosed
US-20130289022-A1 TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF BRANDEIS UNIVERSITY (US) 2013-10-31 US disclosed
WO-2013134376-A1 POSITIVE ALLOSTERIC MODULATORS FOR MELANOCORTIN RECEPTORS VANDERBILT UNIVERSITY (US) 2013-09-12 WO disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed