SCHEMBL3233253

SCHEMBL3233253

COc1ccc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C)c(-c2csc(N3CCC(C(=O)O)CC3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GUCY1B2 O75343 12/20 0.47
GUCY1A2 P33402 12/20 0.47
GUCY1A1 Q02108 12/20 0.47
GUCY1B1 Q02153 12/20 0.47
REV1 Q9UBZ9 1/20 0.43
PPARD Q03181 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3229980 0.93 RAB9A (0.47) RAB9ASMN1; SMN2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3228958 0.92 GUCY1B2 (0.48) RAB9ASMN1; SMN2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3225181 0.90 GUCY1B2 (0.42) RAB9ASMN1; SMN2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3230171 0.90 L3MBTL1 (0.46) RAB9ASMN1; SMN2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3236601 0.90 GUCY1B2 (0.41) RAB9ASMN1; SMN2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3230950 0.89 RAB9A (0.47) RAB9ASMN1; SMN2GUCY1B2GUCY1A2GUCY1A1
Monoethanolamine SCHEMBL3230998 0.88 GUCY1B2 (0.45) RAB9ASMN1; SMN2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3231428 0.88 NPC1 (0.43) RAB9ASMN1; SMN2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3228941 0.88 GUCY1B2 (0.47) RAB9ASMN1; SMN2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3235323 0.88 PTGDR2 (0.42) RAB9ASMN1; SMN2GUCY1B2GUCY1A2GUCY1A1

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