SCHEMBL25337202

SCHEMBL25337202

Nc1cnc(N)c(I)c1.Nc1ncc([N+](=O)[O-])cc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
XDH P47989 1/20 0.41
ALDH1A1 P00352 7/20 0.39
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.35
CLK1 P49759 2/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL1222349 0.93 IDO1 (0.50) IDO1MEN1KMT2ALMNAHTT
SCHEMBL25336501 0.83 IDO1 (0.42) IDO1MEN1KMT2ALMNAHTT
SCHEMBL360527 0.80
SCHEMBL4444390 0.75 HTT (0.52) IDO1MEN1KMT2ALMNAHTT
SCHEMBL31393144 0.75 IDO1 (0.50) IDO1MEN1KMT2ALMNAHTT
SCHEMBL987475 0.74 IDO1 (0.53) IDO1MEN1KMT2ALMNAHTT
SCHEMBL986221 0.73 TDP1 (0.52) IDO1MEN1KMT2ALMNAHTT
SCHEMBL30122384 0.73 TDP1 (0.52) IDO1MEN1KMT2ALMNAHTT
SCHEMBL936212 0.72 HTT (0.57) IDO1MEN1KMT2ALMNAHTT
SCHEMBL1162908 0.72 ALDH1A1 (0.57) IDO1MEN1KMT2ALMNAALDH1A1

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
WO-2023146989-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed