SCHEMBL3230890

SCHEMBL3230890

COc1ccc(-c2ccc(COc3c(F)cc(F)cc3-c3csc(N4CCC(C(=O)O)CC4)n3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 6/20 0.45
GUCY1B2 O75343 4/20 0.44
GUCY1A2 P33402 4/20 0.44
GUCY1A1 Q02108 4/20 0.44
GUCY1B1 Q02153 4/20 0.44
NPC1 O15118 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
AR P10275 2/20 0.43
LMNA P02545 3/20 0.43
NEK2 P51955 1/20 0.43
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3222749 0.88 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3237582 0.85 GUCY1B2 (0.42) RAB9ASMN1; SMN2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3229972 0.83 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2MAPTGUCY1B2GUCY1A2
SCHEMBL3222823 0.81 GUCY1B2 (0.46) RAB9ASMN1; SMN2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3230866 0.81 GUCY1B2 (0.46) RAB9ASMN1; SMN2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3229063 0.80 GUCY1B2 (0.45) RAB9ASMN1; SMN2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3235305 0.79 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2MAPTGUCY1B2GUCY1A2
SCHEMBL3237560 0.79 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2MAPTNPC1L3MBTL1
SCHEMBL21206043 0.78 SMN1; SMN2 (0.81) RAB9ASMN1; SMN2MAPTNPC1L3MBTL1
SCHEMBL3229812 0.78 MAPT (0.51) RAB9ASMN1; SMN2MAPTALDH1A1MAPK1

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