SCHEMBL3467221

SCHEMBL3467221

O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(COc2ccccc2F)s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.77
HTT P42858 6/20 0.77
MEN1 O00255 6/20 0.77
KMT2A Q03164 6/20 0.77
PTPRE P23469 2/20 0.65
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 3/20 0.60
RAB9A P51151 2/20 0.60
ATM Q13315 1/20 0.56
ALOX5 P09917 2/20 0.52
EPHX2 P34913 2/20 0.52
HPN P05981 1/20 0.51
BLM P54132 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
DNMT1 P26358 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
SCHEMBL3467256 0.82 MEN1 (0.74) MAPTHTTMEN1KMT2APTPRE
SCHEMBL3468827 0.82 PTPRE (0.76) MAPTHTTMEN1KMT2APTPRE
SCHEMBL244007 0.80 PTPRE (0.65) MAPTHTTMEN1KMT2APTPRE
SCHEMBL3467385 0.79 RAB9A (0.69) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL3466712 0.78 MEN1 (0.67) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL3468124 0.77 MAPT (0.57) MAPTHTTMEN1KMT2APTPRE
SCHEMBL3468497 0.77 SMN1; SMN2 (0.70) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL3467231 0.75 SMN1; SMN2 (1.00) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL3467177 0.74 RAB9A (0.64) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL3467090 0.73 MEN1 (0.68) MAPTHTTMEN1KMT2ASMN1; SMN2

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