SCHEMBL8404369

SCHEMBL8404369

Cc1cccc([N+](=O)O)c1-c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)o1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA2 O43464 3/20 0.82
POLB P06746 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TNFRSF1A P19438 2/20 0.52
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
PKM P14618 1/20 0.43
BRAF P15056 6/20 0.41
FASN P49327 1/20 0.40
EP300 Q09472 1/20 0.40
TDP1 Q9NUW8 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL11968679 0.90 HTRA2 (1.00) HTRA2POLBMEN1KMT2ATNFRSF1A
SCHEMBL8406197 0.79 HTRA2 (0.60) HTRA2POLBMEN1KMT2ATNFRSF1A
SCHEMBL5398104 0.76 HTRA2 (1.00) HTRA2POLBMEN1KMT2ATNFRSF1A
SCHEMBL11968680 0.73 HTRA2 (0.68) HTRA2POLBMEN1KMT2ATNFRSF1A
SCHEMBL8406200 0.72 POLB (0.61) HTRA2POLBMEN1KMT2ATNFRSF1A
SCHEMBL8406199 0.71 POLB (0.68) HTRA2POLBMEN1KMT2ATNFRSF1A
SCHEMBL8406198 0.70 HTRA2 (0.62) HTRA2POLBMEN1KMT2ATNFRSF1A
SCHEMBL11151064 0.70 MEN1 (0.72) HTRA2POLBMEN1KMT2ATNFRSF1A
SCHEMBL8404370 0.66 HTRA2 (1.00) HTRA2POLBMEN1KMT2ATNFRSF1A
SCHEMBL12218226 0.64 MEN1 (0.71) HTRA2POLBMEN1KMT2ATNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713981-B2 Method and compounds for inhibition of cell death UNIVERSITY OF CENTRAL FLORIDA (US) 2010-05-11 US disclosed
US-20040171629-A1 Method and compounds for inhibition of cell death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-09-02 US disclosed