SCHEMBL3468827

SCHEMBL3468827

Cc1cc(Cl)ccc1OCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRE P23469 2/20 0.76
EPHX2 P34913 5/20 0.62
ALOX5 P09917 4/20 0.62
HPN P05981 2/20 0.60
HTT P42858 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MEN1 O00255 4/20 0.55
MAPT P10636 4/20 0.55
KMT2A Q03164 4/20 0.55
RAB9A P51151 3/20 0.55
LMNA P02545 3/20 0.55
POLB P06746 3/20 0.54
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
GAA P10253 1/20 0.50
DNMT1 P26358 1/20 0.50
DUSP3 P51452 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL244007 0.84 PTPRE (0.65) PTPREEPHX2ALOX5HPNHTT
SCHEMBL3467221 0.82 MAPT (0.77) PTPREEPHX2ALOX5HPNHTT
SCHEMBL3468124 0.79 MAPT (0.57) PTPREEPHX2ALOX5HPNHTT
SCHEMBL3466713 0.78 MEN1 (0.62) EPHX2HPNHTTSMN1; SMN2MEN1
SCHEMBL3467090 0.78 MEN1 (0.68) EPHX2HPNHTTSMN1; SMN2MEN1
SCHEMBL3477465 0.76 KMT2A (0.76) HTTSMN1; SMN2MEN1MAPTKMT2A
SCHEMBL8569537 0.75 HTT (1.00) EPHX2HPNHTTSMN1; SMN2MEN1
SCHEMBL2029608 0.75 HPN (1.00) PTPREEPHX2ALOX5HPNHTT
SCHEMBL8561964 0.75 HTT (0.75) EPHX2HPNHTTSMN1; SMN2MEN1
SCHEMBL5444273 0.74 HPN (0.76) PTPREEPHX2ALOX5HPNHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed