SCHEMBL11968680

SCHEMBL11968680

Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA2 O43464 3/20 0.68
MEN1 O00255 6/20 0.57
POLB P06746 6/20 0.57
KMT2A Q03164 6/20 0.57
TNFRSF1A P19438 2/20 0.56
MAPT P10636 6/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
RECQL P46063 3/20 0.55
LMNA P02545 3/20 0.55
GAA P10253 2/20 0.55
GLA P06280 1/20 0.55
THRB P10828 1/20 0.55
MCL1 Q07820 1/20 0.55
MET P08581 1/20 0.52
EGFR P00533 1/20 0.52
USP2 O75604 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
CTDSP1 Q9GZU7 2/20 0.48

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
SCHEMBL8406197 0.90 HTRA2 (0.60) HTRA2MEN1POLBKMT2ATNFRSF1A
SCHEMBL8406200 0.84 POLB (0.61) HTRA2MEN1POLBKMT2ATNFRSF1A
SCHEMBL5398104 0.81 HTRA2 (1.00) HTRA2MEN1POLBKMT2ATNFRSF1A
SCHEMBL31358711 0.81 MAPT (0.64) MEN1POLBKMT2AMAPTL3MBTL1
SCHEMBL11968679 0.79 HTRA2 (1.00) HTRA2MEN1POLBKMT2ATNFRSF1A
SCHEMBL5991093 0.78 POLB (0.57) HTRA2MEN1POLBKMT2AMAPT
SCHEMBL11151064 0.76 MEN1 (0.72) HTRA2MEN1POLBKMT2ATNFRSF1A
SCHEMBL19652481 0.75 XPA (0.82) MEN1POLBKMT2AL3MBTL1USP2
SCHEMBL8404369 0.73 HTRA2 (0.82) HTRA2MEN1POLBKMT2ATNFRSF1A
SCHEMBL5168014 0.73 PIK3CG (0.78) MEN1KMT2ATDP1

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
US-8242122-B2 Method and compounds for inhibition of cell death UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-08-14 US disclosed