SCHEMBL3233489

SCHEMBL3233489

N#Cc1ccc(Oc2ccc(COc3ccccc3-c3csc(N4CCC(C(=O)O)CC4)n3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
FAAH O00519 1/20 0.43
GUCY1B2 O75343 3/20 0.43
GUCY1A2 P33402 3/20 0.43
GUCY1A1 Q02108 3/20 0.43
GUCY1B1 Q02153 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
LTA4H P09960 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL3238419 0.94 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1FAAHGUCY1B2
SCHEMBL3228778 0.90 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1GUCY1B2GUCY1A2
SCHEMBL3231934 0.89 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1GUCY1B2GUCY1A2
SCHEMBL3236174 0.89 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1FAAHGUCY1B2
SCHEMBL3228934 0.87 L3MBTL1 (0.49) SMN1; SMN2RAB9ANPC1FAAHGUCY1B2
SCHEMBL3233720 0.85 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1GUCY1B2GUCY1A2
SCHEMBL3229972 0.84 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1GUCY1B2GUCY1A2
SCHEMBL3230749 0.84 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EMEN1ALDH1A1HPGD
SCHEMBL3230733 0.84 LTA4H (0.40) SMN1; SMN2RAB9ANPC1KDM4EMEN1
SCHEMBL3227166 0.84 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1GUCY1B2GUCY1A2

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