SCHEMBL6598296

SCHEMBL6598296

Cc1cc(C)n(CCc2cc(-c3ccc[n+](CC(=O)c4cc([N+](=O)[O-])cs4)c3)[nH]n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.38
ALDH1A1 P00352 7/20 0.35
LMNA P02545 6/20 0.35
HTT P42858 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MAPT P10636 5/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 2/20 0.33
HPGD P15428 4/20 0.32
KMT2A Q03164 4/20 0.32
POLB P06746 3/20 0.32
MEN1 O00255 2/20 0.32
RECQL P46063 2/20 0.32
BLM P54132 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 1/20 0.31

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 SCHEMBL5441123 0.99 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1LMNAHTTCASP3
SCHEMBL3689760 0.92 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAHTTMAPT
Bromide SCHEMBL1194391 0.92 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL6597394 0.79 SMN1; SMN2 (0.31) SMN1; SMN2
Bromide SCHEMBL6598138 0.79 MAPT (0.32) SMN1; SMN2ALDH1A1MAPTKMT2APOLB
SCHEMBL6618821 0.76 MAPT (0.36) SMN1; SMN2ALDH1A1LMNAHTTMAPT
Bromide SCHEMBL1194586 0.75 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL6596219 0.75 MAPT (0.35) SMN1; SMN2ALDH1A1LMNAHTTMAPT
Hydrochloric Acid SCHEMBL1193715 0.74 MAPT (0.34) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL6596459 0.73 KMT2A (0.45) SMN1; SMN2ALDH1A1LMNAHTTMAPT

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-1373263-B1 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS TORRENT PHARMACEUTICALS LTD (IN) 2004-10-27 EP claimed