SCHEMBL3228918

SCHEMBL3228918

Cc1cc(NN)c(F)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
KIF11 P52732 1/20 0.31
GPR27 Q9NS67 1/20 0.30

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
SCHEMBL3234702 0.80 CA1 (0.42) CA1CA2CA9KDM1AKDM1B
SCHEMBL10561847 0.75 CA1 (0.43) CA1CA2CA9NPC1MAPT
SCHEMBL10554773 0.75 CD44 (0.41) CA1CA2CA9MEN1NPC1
SCHEMBL13496923 0.75 CA1 (0.35) CA1CA2CA9
SCHEMBL31448202 0.75 CD44 (0.41) CA1CA2CA9MEN1NPC1
SCHEMBL10568715 0.75 HTR2A (0.43) MAPT
SCHEMBL8551603 0.74 DHODH (0.35) CA1CA2CA9NPC1MAPT
SCHEMBL29478809 0.74 KDM1A (0.38) KDM1AKDM1BMEN1NPC1MAPT
SCHEMBL1224640 0.74 KDM1A (0.38) KDM1AKDM1BMEN1NPC1MAPT
Hydrochloric Acid SCHEMBL29865075 0.74 CA1 (0.41) CA1CA2CA9KDM1AKDM1B

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
WO-2010012396-A1 5,6 SUBSTITUTED BENZAMIDE DERIVATIVES AS MODULATORS OF THE EP<SB>2 </SB>RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 WO disclosed
WO-2010012396-A1 5,6 SUBSTITUTED BENZAMIDE DERIVATIVES AS MODULATORS OF THE EP<SB>2 </SB>RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 WO disclosed
EP-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP disclosed