SCHEMBL11224696

SCHEMBL11224696

F[As-](F)(F)(F)(F)F.N#[N+]c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
TDP1 Q9NUW8 5/20 0.44
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.40
GPR35 Q9HC97 1/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.37
CASP7 P55210 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PLAU P00749 1/20 0.36
PTPRC P08575 1/20 0.36
S100A4 P26447 1/20 0.36

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
SCHEMBL1411626 0.92 HSD17B10 (0.48) ALDH1A1TDP1HSD17B10KMT2AMEN1
Hydrochloric Acid SCHEMBL9658607 0.90 HSD17B10 (0.47) ALDH1A1TDP1HSD17B10KMT2AMEN1
Hydrochloric Acid SCHEMBL6868421 0.90 HSD17B10 (0.47) ALDH1A1TDP1HSD17B10KMT2AMEN1
SCHEMBL8043355 0.89 ALDH1A1 (0.44) ALDH1A1TDP1HSD17B10KMT2AMEN1
SCHEMBL534832 0.89 ALDH1A1 (0.44) ALDH1A1TDP1HSD17B10KMT2AMEN1
Perchlorate SCHEMBL5573886 0.87 ALDH1A1 (0.46) ALDH1A1TDP1HSD17B10KMT2AMEN1
SCHEMBL11585259 0.85 ALDH1A1 (0.43) ALDH1A1TDP1HSD17B10KMT2AMEN1
Sulfuric Acid SCHEMBL6861269 0.82 KMT2A (0.46) ALDH1A1TDP1HSD17B10KMT2AMEN1
Trifluoromethanesulfonic Acid SCHEMBL11062810 0.82 KMT2A (0.42) ALDH1A1TDP1HSD17B10KMT2AMEN1
2-Aminopyridine SCHEMBL28296711 0.76 NOS3 (0.47) ALDH1A1KMT2AMEN1NPC1RAB9A

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-0005380-B1 PHOTOTROPIC PHOTOSENSITIVE COMPOSITIONS CONTAINING A FLUORAN COLORFORMER Dynachem Corporation (US) 1982-01-06 EP disclosed