SCHEMBL9902841

SCHEMBL9902841

O=C(O)c1cc(Oc2ccc(C(F)F)cc2)c2cc(CBr)oc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.40
GCK P35557 4/20 0.34
LMNA P02545 1/20 0.33
SRD5A2 P31213 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 3/20 0.32
TTR P02766 2/20 0.32
PTGER2 P43116 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
PTGER1 P34995 1/20 0.31
PTGER3 P43115 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12096277 0.81 GCK (0.48) GCKKCNH2TTR
SCHEMBL9902275 0.81 MRGPRX4 (0.38) MRGPRX4GCKLMNASRD5A2ALDH1A1
SCHEMBL9902287 0.78 GCK (0.42) MRGPRX4GCKALDH1A1NPC1HTT
SCHEMBL12101438 0.77 HPGD (0.38) GCKNPC1RAB9AKCNH2KDM4E
SCHEMBL646057 0.74 PTGS2 (0.39) MRGPRX4GCKALDH1A1NPC1RAB9A
SCHEMBL10253235 0.74 GCK (0.47) GCKLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL10253328 0.73 PTGS2 (0.47) GCKKDM4EHPGD
SCHEMBL643875 0.72 GCK (0.46) GCKKCNH2KDM4EHPGD
SCHEMBL10288027 0.72 TTR (0.37) GCKLMNAALDH1A1NPC1HTT
SCHEMBL12101428 0.72 HPGD (0.39) GCKKDM4EMEN1HPGDKMT2A

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-2463283-B1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases PFIZER PROD INC (US) 2014-06-11 EP disclosed
EP-2010520-B1 HETEROBICYCLIC AMIDES FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PROD INC (US) 2012-09-12 EP disclosed
EP-2463283-A1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases Pfizer Products Inc. (US) 2012-06-13 EP disclosed