SCHEMBL1742226

SCHEMBL1742226

O=[N+]([O-])c1ccccc1C1(Br)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 5/20 0.42
ALDH1A1 P00352 7/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GPR35 Q9HC97 1/20 0.41
TSHR P16473 2/20 0.40
CASP7 P55210 2/20 0.40
TDP2 O95551 1/20 0.40
CASP9 P55211 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL13281083 0.77 HSD17B10 (0.48) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL30937695 0.77 HSD17B10 (0.44) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL9125629 0.74 HSD17B10 (0.41) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL9125609 0.74 ALDH1A1 (0.43) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL30937544 0.73 AKR1C1 (0.46) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL5369495 0.73 AKR1C1 (0.46) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL632435 0.73 LMNA (0.43) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL5368690 0.72 AKR1C1 (0.49) TDP1ALDH1A1KMT2AMEN1GPR35
SCHEMBL5366796 0.72 ALDH1A1 (0.41) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL22566 0.71 HSD17B10 (0.67) HSD17B10TDP1ALDH1A1KMT2AMEN1

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
CN-102291989-B Herbicide derived from cyclopentanedione 辛根塔有限公司 2016-08-03 CN disclosed
EP-2389066-A1 CYCLOPENTADIONE DERIVED HERBICIDES Syngenta Limited (GB) 2011-11-30 EP disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 WO disclosed