SCHEMBL3689760

SCHEMBL3689760

Cc1cc(C)n(Cc2cc(-c3ccc[n+](CC(=O)c4cc([N+](=O)[O-])cs4)c3)[nH]n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 4/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.31
HTT P42858 3/20 0.31
POLB P06746 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
DUSP3 P51452 1/20 0.31
BLM P54132 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE4B Q07343 1/20 0.31
GAA P10253 1/20 0.30

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
Bromide SCHEMBL1194391 0.99 SMN1; SMN2 (0.38) SMN1; SMN2LMNAMAPTALDH1A1HTT
SCHEMBL6598296 0.92 SMN1; SMN2 (0.38) SMN1; SMN2LMNAMAPTALDH1A1HTT
Bromide SCHEMBL5441123 0.92 SMN1; SMN2 (0.37) SMN1; SMN2LMNAMAPTALDH1A1HTT
SCHEMBL6596219 0.83 MAPT (0.35) SMN1; SMN2LMNAMAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL1193715 0.82 MAPT (0.34) SMN1; SMN2LMNAMAPTALDH1A1HTT
SCHEMBL6596459 0.81 KMT2A (0.45) SMN1; SMN2LMNAMAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL1193919 0.80 KMT2A (0.44) LMNAMAPTALDH1A1HTTKMT2A
SCHEMBL6597394 0.80 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL6618821 0.77 MAPT (0.36) SMN1; SMN2LMNAMAPTALDH1A1HTT
Bromide SCHEMBL6598138 0.77 MAPT (0.32) SMN1; SMN2MAPTALDH1A1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2659933-A1 Pharmaceutical combinations comprising specified age breaker and further drugs, i.a. antihypertensive drugs, antidiabetic drugs etc. Torrent Pharmaceuticals Ltd. (IN) 2013-11-06 EP claimed
EP-2254563-A2 PHARMACEUTICAL COMBINATIONS COMPRISING SPECIFIED AGE BREAKER AND FURTHER DRUGS, I.A. ANTIHYPERTENSIVE DRUGS, ANTIDIABETIC DRUGS ETC Torrent Pharmaceuticals Ltd. (IN) 2010-12-01 EP claimed
WO-2009093264-A2 PHARMACEUTICAL COMBINATIONS TORRENT PHARMACEUTICALS LTD. (IN) 2009-07-30 WO claimed