SCHEMBL3627409

SCHEMBL3627409

N#Cc1ccc(Oc2ccc(COc3ccccc3-c3ccnc(-n4ncc(C(=O)O)c4C(F)(F)F)n3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ALKBH1 Q13686 2/20 0.38
MET P08581 1/20 0.37
AXL P30530 1/20 0.37
KDM5A P29375 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
MALT1 Q9UDY8 3/20 0.36
GUCY1A1 Q02108 2/20 0.35
GUCY1B1 Q02153 2/20 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
SCHEMBL14952822 0.94 POLB (0.40) POLBMAPTSMN1; SMN2ALKBH1KDM5A
SCHEMBL3624474 0.90 PTGER1 (0.38) ALKBH1KDM5AKDM2BKDM4CKDM5B
SCHEMBL3998373 0.89 KEAP1 (0.47) POLBMAPTSMN1; SMN2CYP11B1CYP11B2
SCHEMBL3625402 0.87 MEN1 (0.41) ALKBH1RAB9AMEN1NPC1KMT2A
SCHEMBL3626353 0.86 MAPT (0.44) POLBMAPTSMN1; SMN2ALKBH1RAB9A
SCHEMBL3620278 0.85 RAB9A (0.50) POLBMAPTSMN1; SMN2ALKBH1KDM5A
SCHEMBL3616710 0.84 POLB (0.42) POLBMAPTSMN1; SMN2ALKBH1KDM5A
SCHEMBL3627313 0.83 RAB9A (0.47) POLBMAPTSMN1; SMN2ALKBH1RAB9A
SCHEMBL3628869 0.83 KDM4C (0.39) POLBMAPTSMN1; SMN2KDM5AKDM4C
SCHEMBL3998252 0.82 KEAP1 (0.48) POLBMAPTSMN1; SMN2RAB9AMEN1

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