SCHEMBL3222749

SCHEMBL3222749

N#Cc1ccc(-c2ccc(COc3c(F)cc(F)cc3-c3csc(N4CCC(C(=O)O)CC4)n3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GUCY1B2 O75343 5/20 0.42
GUCY1A2 P33402 5/20 0.42
GUCY1A1 Q02108 5/20 0.42
GUCY1B1 Q02153 5/20 0.42
AR P10275 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3237582 0.94 GUCY1B2 (0.42) SMN1; SMN2RAB9ANPC1L3MBTL1GUCY1B2
SCHEMBL3229063 0.90 GUCY1B2 (0.45) SMN1; SMN2RAB9ANPC1L3MBTL1GUCY1B2
SCHEMBL3227166 0.88 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1L3MBTL1GUCY1B2
SCHEMBL3230890 0.88 RAB9A (0.52) SMN1; SMN2RAB9ANPC1L3MBTL1GUCY1B2
SCHEMBL14952909 0.85 GUCY1B2 (0.44) SMN1; SMN2RAB9ANPC1L3MBTL1GUCY1B2
SCHEMBL3238419 0.83 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1L3MBTL1GUCY1B2
SCHEMBL3994172 0.81 SCN9A (0.44) SMN1; SMN2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3230866 0.79 GUCY1B2 (0.46) SMN1; SMN2RAB9ANPC1L3MBTL1GUCY1B2
SCHEMBL3222823 0.79 GUCY1B2 (0.46) SMN1; SMN2RAB9ANPC1L3MBTL1GUCY1B2
SCHEMBL3231021 0.79 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1L3MBTL1GUCY1B2

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