SCHEMBL3468124

SCHEMBL3468124

CC(C)(C)c1ccc(OCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
HPN P05981 2/20 0.57
SMN1; SMN2 Q16637 4/20 0.55
HTT P42858 4/20 0.55
ALOX5 P09917 2/20 0.55
EPHX2 P34913 2/20 0.55
PTPRE P23469 2/20 0.54
LMNA P02545 4/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 4/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GAA P10253 2/20 0.49
BLM P54132 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49

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 0.89 PTPRE (0.65) MAPTHPNSMN1; SMN2HTTALOX5
SCHEMBL3468827 0.79 PTPRE (0.76) MAPTHPNSMN1; SMN2HTTALOX5
SCHEMBL3467221 0.77 MAPT (0.77) MAPTHPNSMN1; SMN2HTTALOX5
SCHEMBL8563911 0.76 RAB9A (0.74) MAPTHPNSMN1; SMN2HTTEPHX2
SCHEMBL5446202 0.76 MAPT (0.59) MAPTHPNSMN1; SMN2HTTPTPRE
SCHEMBL5442348 0.76 HPN (0.64) MAPTHPNSMN1; SMN2HTTPTPRE
SCHEMBL5447957 0.75 MAPT (0.56) MAPTHPNPTPRERAB9AMEN1
SCHEMBL3467467 0.75 MEN1 (0.62) MAPTHPNSMN1; SMN2HTTLMNA
SCHEMBL2181677 0.75 RAB9A (0.69) MAPTHPNSMN1; SMN2HTTALOX5
SCHEMBL5435707 0.73 HPN (0.62) MAPTHPNSMN1; SMN2HTTPTPRE

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