SCHEMBL8989503

SCHEMBL8989503

O=[N+]([O-])c1cnc(NCl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.51
ALDH1A1 P00352 6/20 0.47
MAPT P10636 7/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 1/20 0.44
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL3597604 0.84 AHR (0.47) AHRALDH1A1MAPTMEN1KMT2A
SCHEMBL23580255 0.84 ALDH1A1 (0.47) AHRALDH1A1MAPTMEN1KMT2A
SCHEMBL27961645 0.78 ALDH1A1 (0.50) AHRALDH1A1MAPTMEN1KMT2A
SCHEMBL11542174 0.78 AHR (0.45) AHRALDH1A1MAPTMEN1KMT2A
SCHEMBL4519799 0.78 AHR (0.54) AHRALDH1A1MAPTMEN1KMT2A
SCHEMBL29438693 0.77 ALDH1A1 (0.54) AHRALDH1A1MAPTMEN1KMT2A
SCHEMBL364459 0.77 ALDH1A1 (0.54) AHRALDH1A1MAPTMEN1KMT2A
SCHEMBL11541401 0.77 GLA (0.46) AHRALDH1A1MAPTMEN1KMT2A
SCHEMBL10857430 0.76 ALDH1A1 (0.52) AHRALDH1A1MAPTMEN1KMT2A
SCHEMBL15529688 0.76 ALDH1A1 (0.52) AHRALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0596491-B1 Method for halogenating an aromatic compound ISHIHARA SANGYO KAISHA (JP) 1996-07-10 EP disclosed
US-5491239-A Method for halogenating an aromatic compound ISHIHARA SANGYO KAISHA LTD. (JP) 1996-02-13 US disclosed
EP-0596491-A1 Method for halogenating an aromatic compound ISHIHARA SANGYO KAISHA, LTD. (JP) 1994-05-11 EP disclosed