SCHEMBL3624474

SCHEMBL3624474

N#Cc1ccc(Oc2ccc(COc3ccc(Cl)cc3-c3ccnc(-n4ncc(C(=O)O)c4C(F)(F)F)n3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.38
EIF4EBP1 Q13541 3/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
XDH P47989 2/20 0.37
KDM5A P29375 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
ALKBH1 Q13686 2/20 0.36
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3627409 0.90 POLB (0.39) MRGPRX4MEN1NPC1RAB9AKMT2A
SCHEMBL3625402 0.90 MEN1 (0.41) PTGER1EIF4EBP1MEN1NPC1RAB9A
SCHEMBL3996801 0.89 KEAP1 (0.46) PTGER1MEN1NPC1RAB9AKMT2A
SCHEMBL14952869 0.86 MEN1 (0.47) PTGER1MRGPRX4MEN1NPC1RAB9A
SCHEMBL3625406 0.84 PTGER1 (0.37) PTGER1MEN1NPC1RAB9AKMT2A
SCHEMBL14952822 0.84 POLB (0.40) MEN1NPC1RAB9AKMT2AXDH
SCHEMBL4001015 0.83 KEAP1 (0.47) PTGER1MEN1NPC1RAB9AKMT2A
SCHEMBL3627313 0.80 RAB9A (0.47) PTGER1MEN1NPC1RAB9AKMT2A
SCHEMBL3625775 0.79 SMN1; SMN2 (0.46) MRGPRX4MEN1NPC1RAB9AKMT2A
SCHEMBL3998373 0.79 KEAP1 (0.47) MEN1NPC1RAB9AKMT2A

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-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP claimed
EP-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP disclosed
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed