SCHEMBL861015

SCHEMBL861015

Cc1cc(OCCOCc2ccccc2)ccc1[N+](=O)[O-].c1ccc(COCCOc2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 4/20 0.44
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
APP P05067 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTSV O60911 2/20 0.39
CTSL P07711 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL214946 0.87 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL2489895 0.84 LTA4H (0.51) ALDH1A1KDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL852570 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL6297284 0.79 MAPT (0.54) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL29502955 0.77 MAPT (0.56) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL1061802 0.77 MAPT (0.56) ALDH1A1KDM4EMEN1KMT2AMAPK1
Ammonia Solution, Strong SCHEMBL28855632 0.76 MAPT (0.55) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL8127404 0.75 KDM4E (0.59) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL10870559 0.74 MAPT (0.71) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL11747357 0.74 MAPT (0.61) ALDH1A1KDM4EMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425010-B8 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS JANSSEN PHARMACEUTICALS INC (US) 2012-03-28 EP disclosed
EP-1425010-A4 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-07-29 EP disclosed
EP-1425010-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-06-09 EP disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 WO disclosed