SCHEMBL2447002

SCHEMBL2447002

CCCCCCCCCCCCOc1cc(-c2ccc(-c3cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c3)nc2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
STAT3 P40763 1/20 0.42
ATM Q13315 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PTPN11 Q06124 4/20 0.40
TLR8 Q9NR97 1/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38

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
SCHEMBL2454193 0.93 KDM4E (0.45) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL14983302 0.92 KDM4E (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL502920 0.92 KDM4E (0.47) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL2448597 0.84 KDM4E (0.49) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL29087583 0.81 ALDH1A1 (0.36) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL30522292 0.81 ALDH1A1 (0.36) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL14983295 0.80 KDM4E (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL2448223 0.79 PTPN11 (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL14983291 0.78 KDM4E (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL2448227 0.76 KDM4E (0.72) L3MBTL1KDM4EALDH1A1HPGDHTT

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
US-20130137869-A1 LUMINOPHORES UNIVERSITY OF YORK (UK) 2013-05-30 US disclosed
EP-2547748-A1 LUMINOPHORES University of York (GB) 2013-01-23 EP disclosed
WO-2011114095-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2011-09-22 WO disclosed