SCHEMBL4904653

SCHEMBL4904653

O=C(OCc1ccccc1)c1cc(N2CCCC2)c(Oc2ccccc2)c(S(=O)(=O)[AsH2])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 1/20 0.59
USP2 O75604 1/20 0.59
HPGD P15428 1/20 0.59
SLC6A4 P31645 1/20 0.59
HIF1A Q16665 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 3/20 0.40
KMT2A Q03164 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
ABCB1 P08183 1/20 0.38
GAA P10253 1/20 0.38
ABCG2 Q9UNQ0 1/20 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
SCHEMBL230205 0.90 LMNA (0.74) LMNAALDH1A1KDM4EUSP2HPGD
SCHEMBL230518 0.79 LMNA (0.75) LMNAALDH1A1KDM4EUSP2HPGD
SCHEMBL30754392 0.79 ALDH1A1 (0.75) LMNAALDH1A1KDM4EUSP2HPGD
SCHEMBL29436053 0.77 ALDH1A1 (0.76) LMNAALDH1A1KDM4EUSP2HPGD
SCHEMBL230563 0.77 ALDH1A1 (0.76) LMNAALDH1A1KDM4EUSP2HPGD
SCHEMBL232305 0.76 ALDH1A1 (0.70) LMNAALDH1A1KDM4EUSP2HPGD
SCHEMBL12522776 0.76 LMNA (0.70) LMNAALDH1A1KDM4EUSP2HPGD
SCHEMBL230185 0.75 ALDH1A1 (0.80) LMNAALDH1A1KDM4EUSP2HPGD
SCHEMBL14881297 0.75 ALDH1A1 (0.63) LMNAALDH1A1KDM4EUSP2HPGD
SCHEMBL11542238 0.75 ALDH1A1 (0.63) LMNAALDH1A1KDM4EUSP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937242-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NeuroTherapeutics Pharma, Inc. (US) 2008-07-02 EP disclosed
WO-2007047698-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NEUROTHERAPEUTICS PHARMA, INC. (US) 2007-04-26 WO disclosed