SCHEMBL7086912

SCHEMBL7086912

C1CC2CC2C1.CCc1sc(NC(=O)c2cc3ccccc3n2CC(=O)OC)nc1-c1cc(Br)c(OC)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.36
MEN1 O00255 1/20 0.36
CCKAR P32238 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 5/20 0.34
TRPV4 Q9HBA0 4/20 0.34
TP53 P04637 3/20 0.34
RAB9A P51151 1/20 0.34
F10 P00742 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33
IMPDH2 P12268 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 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
SCHEMBL6702299 0.86 TRPV4 (0.38) SCDMEN1CCKARKMT2AMAPT
SCHEMBL7091394 0.83 MAPT (0.34) MEN1CCKARKMT2AMAPTTP53
SCHEMBL7086907 0.82 F10 (0.38) SCDMEN1CCKARKMT2AMAPT
SCHEMBL6703035 0.81 MAPT (0.34) SCDMEN1KMT2AMAPTTRPV4
SCHEMBL6702802 0.78 GAA (0.39) MEN1KMT2AMAPTTRPV4TP53
SCHEMBL7682217 0.78 TRPV4 (0.38) MEN1CCKARKMT2AMAPTTRPV4
SCHEMBL7679717 0.77 MEN1 (0.40) MEN1CCKARKMT2AMAPTTRPV4
SCHEMBL7087093 0.73 MAPT (0.39) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL6703565 0.73 TRPV4 (0.35) SCDKMT2AMAPTTRPV4TP53
SCHEMBL7679713 0.73 MEN1 (0.40) MEN1CCKARKMT2AF10

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-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed