SCHEMBL1823558

SCHEMBL1823558

NC(=O)Oc1[nH]c2cc(CNCc3ccc([N+](=O)[O-])s3)ccc2c1Sc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
TP53 P04637 4/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 2/20 0.34
USP47 Q96K76 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
NR1D1 P20393 3/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1615897 0.87 PTGS2 (0.40) MAPTTP53POLBMEN1KMT2A
SCHEMBL1822948 0.86 MEN1 (0.41) MAPTTP53POLBMEN1KMT2A
SCHEMBL1825505 0.85 ALDH1A1 (0.40) MAPTTP53POLBMEN1KMT2A
SCHEMBL1824983 0.84 CYP2C9 (0.41) MAPTTP53POLBMEN1KMT2A
SCHEMBL1826051 0.84 TP53 (0.36) MAPTTP53POLBMEN1KMT2A
SCHEMBL1826130 0.84 TP53 (0.44) MAPTTP53POLBMEN1KMT2A
SCHEMBL1822442 0.81 TP53 (0.42) MAPTTP53POLBMEN1KMT2A
SCHEMBL1826315 0.81 TP53 (0.42) MAPTTP53POLBMEN1KMT2A
SCHEMBL1824783 0.80 MAPT (0.44) MAPTTP53POLBMEN1KMT2A
SCHEMBL1823959 0.80 TP53 (0.48) MAPTTP53POLBMEN1KMT2A

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-1794122-B1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMA INC (US) 2011-05-04 EP claimed