SCHEMBL9744275

SCHEMBL9744275

Cn1nc(Oc2ccc([N+](=O)[O-])c(C(C)(N)C(=O)O)n2)c(Cl)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
TTR P02766 1/20 0.32
PPOX P50336 1/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
TPH1 P17752 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
F2 P00734 1/20 0.31
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP3A4 P08684 2/20 0.30
PGR P06401 1/20 0.30
AR P10275 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9744480 0.88 PIN1 (0.32) PIN1MEN1KMT2ATDP1ALDH1A1
SCHEMBL9743913 0.82 PKM (0.42) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9854877 0.77 TDP1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10474161 0.75 TDP1 (0.45) PIN1MEN1KMT2ATDP1TTR
SCHEMBL10473602 0.75 MEN1 (0.41) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9474036 0.73 ALDH1A1 (0.45) PIN1MEN1KMT2ATDP1TTR
SCHEMBL9747467 0.73 TPH1 (0.30) TPH1
SCHEMBL9037261 0.73 MEN1 (0.46) PIN1MEN1KMT2ATDP1TTR
SCHEMBL10472248 0.73 TDP1 (0.46) PIN1MEN1KMT2ATDP1TTR
SCHEMBL10474194 0.73 TDP1 (0.37) MEN1KMT2ATDP1TTRPPOX

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-5133798-A Certain herbicidal 1,2,4-triazolo[4,5-b]pyridines IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 US disclosed
EP-0453065-A1 Triazolopyridine derivatives ZENECA LIMITED (GB) 1991-10-23 EP disclosed