SCHEMBL727265

SCHEMBL727265

CSc1ccc(C(=O)C2(N3CCCCC3)CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TNF P01375 1/20 0.42
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 3/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PLK1 P53350 1/20 0.39
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 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
SCHEMBL727241 1.00 MEN1 (0.49) MEN1KMT2ATNFALDH1A1SMN1; SMN2
SCHEMBL274970 0.89 SMN1; SMN2 (0.51) MEN1KMT2ATNFALDH1A1SMN1; SMN2
SCHEMBL10885964 0.81 ALDH1A1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL16576960 0.80 ALDH1A1 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL725808 0.78 HTT (0.58) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL727273 0.78 MEN1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL13863437 0.77 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TSHRNPC1
SCHEMBL11896695 0.76 RAB9A (0.46) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL726159 0.75 MEN1 (0.46) MEN1KMT2ATNFALDH1A1SMN1; SMN2
SCHEMBL6986662 0.74 PLK1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2TSHR

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