SCHEMBL3620748

SCHEMBL3620748

Cc1cc(-c2ccc(Cl)cc2C(F)(F)F)ccc1COc1ccc(C(F)(F)F)cc1-c1ccnc(N2CCC(C(=O)O)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4EBP1 Q13541 1/20 0.38
S1PR1 P21453 7/20 0.38
GUCY1B2 O75343 2/20 0.38
GUCY1A2 P33402 2/20 0.38
GUCY1A1 Q02108 2/20 0.38
GUCY1B1 Q02153 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
SYK P43405 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL3629056 0.88 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3627141 0.86 SYK (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3627330 0.86 GUCY1B2 (0.40) EIF4EBP1S1PR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3626338 0.85 S1PR1 (0.45) S1PR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3622280 0.85 LMNA (0.41) S1PR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3627162 0.85 PTGDR2 (0.43) EIF4EBP1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3997900 0.83 GUCY1B2 (0.46) S1PR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3627858 0.83 GUCY1B2 (0.44) S1PR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3627113 0.83 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3627126 0.82 GUCY1B2 (0.42) 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