SCHEMBL3627142

SCHEMBL3627142

Cc1ccc(OCc2ccc(Oc3ccc(C#N)cc3Cl)cc2C)c(-c2ccnc(N3CCC(C(=O)O)CC3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 10/20 0.43
GUCY1A2 P33402 10/20 0.43
GUCY1A1 Q02108 10/20 0.43
GUCY1B1 Q02153 10/20 0.43
KDM4E B2RXH2 2/20 0.38
PDE5A O76074 1/20 0.38
FFAR1 O14842 1/20 0.36
CD274 Q9NZQ7 4/20 0.35
PDCD1 Q15116 3/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 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
SCHEMBL3628181 0.87 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3618925 0.86 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3628846 0.82 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3628719 0.81 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3624888 0.81 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3626258 0.80 GUCY1B2 (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3627404 0.80 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3622541 0.79 KDM4E (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3624884 0.79 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3616728 0.78 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E

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 4 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
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO 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