SCHEMBL726159

SCHEMBL726159

CSc1ccc(C(=O)C2(Br)CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PLK1 P53350 1/20 0.43
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 7/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
TNF P01375 1/20 0.37
TSHR P16473 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 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
SCHEMBL6986662 0.79 PLK1 (0.46) MEN1KMT2APLK1RAB9ANPC1
SCHEMBL1553898 0.79 HPGD (0.38) ALDH1A1HPGDSMN1; SMN2MAPK1LMNA
SCHEMBL4611297 0.78 GSK3B (0.51) MEN1KMT2APLK1RAB9AALDH1A1
SCHEMBL1446377 0.77 AKR1C1 (0.42) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL727190 0.75 HTT (0.47) KMT2A
SCHEMBL727241 0.75 MEN1 (0.49) MEN1KMT2APLK1RAB9ANPC1
SCHEMBL727265 0.75 MEN1 (0.49) MEN1KMT2APLK1RAB9ANPC1
SCHEMBL3678905 0.75 OPRM1 (0.33) SLC6A4SLC6A3MAPT
SCHEMBL4209794 0.74 AKR1C1 (0.44) KMT2AALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL726294 0.74 SLC6A4 (0.41) MEN1KMT2APLK1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
CN-102958909-B metal-free bleaching compositions 巴斯夫欧洲公司 2016-11-09 CN disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
EP-2585431-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-01 EP disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed