SCHEMBL28482995

SCHEMBL28482995

O=C(c1cccc(Br)c1Br)C(Br)(Br)Br

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.39
ELANE P08246 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAOB P27338 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
FABP4 P15090 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 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
SCHEMBL8495468 0.81 PRNP (0.50) PRNPELANEMEN1KMT2AMAOB
SCHEMBL588389 0.79 PRNP (0.53) PRNPKMT2AALDH1A1SMN1; SMN2FABP4
SCHEMBL9136350 0.77 PRNP (0.56) PRNPELANEMEN1KMT2AMAOB
SCHEMBL6420545 0.77 ALDH1A1 (0.45) PRNPELANEMEN1KMT2AMAOB
SCHEMBL3170417 0.77 METAP2 (0.48) GAAALDH1A1HPGDHSD17B10
SCHEMBL1873518 0.77 KMT2A (0.41) PRNPMEN1KMT2ANPC1RAB9A
SCHEMBL11695884 0.77 GAA (0.40) PRNPELANEMEN1KMT2AMAOB
SCHEMBL29875252 0.76 PRNP (0.42) PRNPMEN1KMT2AMAOBNPC1
SCHEMBL7931233 0.76 PRNP (0.50) PRNPELANEMEN1KMT2AMAOB
SCHEMBL28108084 0.76 PRNP (0.42) PRNPMEN1KMT2AMAOBNPC1

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
CN-110294661-B Method for realizing complete debromination of polybrominated aromatic compound by photoreduction 中国科学院化学研究所 2020-11-24 CN claimed
CN-110294661-B Method for realizing complete debromination of polybrominated aromatic compound by photoreduction 中国科学院化学研究所 2020-11-24 CN disclosed