SCHEMBL3626258

SCHEMBL3626258

Cc1cc(-c2ccc(C#N)cc2)ccc1COc1ccc(F)cc1-c1ccnc(N2CCC(C(=O)O)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 3/20 0.39
GUCY1A2 P33402 3/20 0.39
GUCY1A1 Q02108 3/20 0.39
GUCY1B1 Q02153 3/20 0.39
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
GPR6 P46095 4/20 0.37
PTGER1 P34995 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
SCN9A Q15858 2/20 0.36
CD274 Q9NZQ7 1/20 0.35
ABL1 P00519 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
TP53 P04637 1/20 0.34
GLP1R P43220 1/20 0.34
MAPK14 Q16539 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
SCHEMBL3628362 0.93 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM5A
SCHEMBL3628181 0.93 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM5A
SCHEMBL3624884 0.92 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3627162 0.91 PTGDR2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3624902 0.90 KDM4E (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3999066 0.88 SCN9A (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PTGER1
SCHEMBL3618925 0.86 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM5A
SCHEMBL3231021 0.86 SMN1; SMN2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3627404 0.84 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3627261 0.84 F10 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PTGER1

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