SCHEMBL3628869

SCHEMBL3628869

Cc1cc(-c2ccc(C#N)cc2)ccc1COc1ccccc1-c1ccnc(-n2ncc(C(=O)O)c2C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.39
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
SYK P43405 1/20 0.37
KEAP1 Q14145 4/20 0.36
NFE2L2 Q16236 4/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 3/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
ATM Q13315 1/20 0.35
PTGER4 P35408 1/20 0.35
MALT1 Q9UDY8 2/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3627139 0.91 SYK (0.38) SYKKEAP1NFE2L2MAPTPOLB
SCHEMBL3627484 0.90 RAB9A (0.46) KDM4CKDM5AKDM5BSYKKEAP1
SCHEMBL3996947 0.89 KEAP1 (0.48) KDM4CKDM5AKDM5BKEAP1NFE2L2
SCHEMBL14952822 0.89 POLB (0.40) KDM4CKDM5AKDM5BKEAP1NFE2L2
SCHEMBL4005104 0.83 KEAP1 (0.46) KDM4CKDM5AKDM5BKEAP1NFE2L2
SCHEMBL3627409 0.83 POLB (0.39) KDM4CKDM5AKDM5BKEAP1NFE2L2
SCHEMBL4004694 0.82 KEAP1 (0.46) KDM4CKDM5AKDM5BKEAP1NFE2L2
SCHEMBL3625402 0.82 MEN1 (0.41) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL3626358 0.82 MAPT (0.44) SYKKEAP1NFE2L2MAPTPOLB
SCHEMBL3626353 0.82 MAPT (0.44) KEAP1NFE2L2MAPTPOLBSMN1; SMN2

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