SCHEMBL3851392

SCHEMBL3851392

CC(C)CNc1sc(C(=O)c2cc(-c3ccc(N)cc3)no2)c(Nc2ccccc2)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CSF1R P07333 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
RET P07949 2/20 0.35
CSGALNACT1 Q8TDX6 7/20 0.34
RAB9A P51151 2/20 0.34
ATR Q13535 1/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
TNIK Q9UKE5 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33

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
SCHEMBL3853232 0.86 MELK (0.39) SMN1; SMN2KDM4ELMNAMAPTTP53
SCHEMBL3824983 0.84 MAPT (0.41) SMN1; SMN2KDM4ELMNAMAPTTP53
SCHEMBL4484744 0.76 NPC1 (0.43) SMN1; SMN2LMNAMAPTRAB9AKMT2A
SCHEMBL3824968 0.76 MELK (0.46) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL13711814 0.75 MELK (0.40) SMN1; SMN2KDM4ELMNAMAPTTP53
SCHEMBL4468601 0.74 MELK (0.48) KDM4EMAPTKMT2APOLBMEN1
SCHEMBL3830469 0.74 CHEK1 (0.39) SMN1; SMN2KDM4EJAK1JAK3
SCHEMBL4464972 0.72 MELK (0.42) SMN1; SMN2KDM4ELMNAMAPTTP53
SCHEMBL4476871 0.68 RAB9A (0.46) SMN1; SMN2KDM4ELMNAMAPTRET
SCHEMBL3989788 0.68 MEN1 (0.53) SMN1; SMN2KDM4EMAPTCSGALNACT1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742627-A4 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON INC (US) 2009-08-26 EP disclosed
EP-1742627-A2 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. (US) 2007-01-17 EP disclosed
WO-2006078287-A2 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. (US) 2006-07-27 WO disclosed