SCHEMBL3238018

SCHEMBL3238018

COc1cc(-c2ccc(C#N)cc2)ccc1COc1ccccc1-c1csc(N2CCC(C(=O)O)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 1/20 0.41
GUCY1B2 O75343 1/20 0.41
GUCY1A2 P33402 1/20 0.41
GUCY1A1 Q02108 1/20 0.41
GUCY1B1 Q02153 1/20 0.41
NPC1 O15118 2/20 0.41
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
NEK2 P51955 1/20 0.39
HTT P42858 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
AR P10275 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NTSR1 P30989 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
SCHEMBL3230163 0.92 GUCY1B2 (0.44) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3235879 0.91 SMN1; SMN2 (0.52) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3238569 0.88 L3MBTL1 (0.46) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3238419 0.88 SMN1; SMN2 (0.46) SMN1; SMN2RAB9AKMT2AGUCY1B2GUCY1A2
SCHEMBL3230950 0.85 RAB9A (0.47) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3236498 0.84 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3231021 0.84 SMN1; SMN2 (0.44) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3239261 0.84 GUCY1B2 (0.47) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3224931 0.84 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3237560 0.84 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1NEK2L3MBTL1

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