SCHEMBL3228802

SCHEMBL3228802

Cc1cc(-c2ccc(C#N)cc2)ccc1COc1ccc(Cl)cc1-c1csc(N2CCC(C(=O)O)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 3/20 0.42
GUCY1B2 O75343 13/20 0.41
GUCY1A2 P33402 13/20 0.41
GUCY1A1 Q02108 13/20 0.41
GUCY1B1 Q02153 13/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3239261 0.93 GUCY1B2 (0.47) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3231021 0.91 SMN1; SMN2 (0.44) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3234749 0.91 GUCY1B2 (0.42) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3230950 0.91 RAB9A (0.47) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3230163 0.91 GUCY1B2 (0.44) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3230876 0.90 GUCY1B2 (0.40) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3235323 0.90 PTGDR2 (0.42) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
Monoethanolamine SCHEMBL3239701 0.89 GUCY1B2 (0.45) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3233436 0.88 FFAR4 (0.41) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL4004424 0.88 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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-2010015652-A2 THIAZOLE COMPOUNDS 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-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed