SCHEMBL3229972

SCHEMBL3229972

COc1ccc(-c2ccc(COc3ccccc3-c3csc(N4CCC(C(=O)O)CC4)n3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.56
RAB9A P51151 7/20 0.56
MAPT P10636 3/20 0.52
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 2/20 0.50
NPC1 O15118 6/20 0.49
NEK2 P51955 1/20 0.46
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
GUCY1B2 O75343 1/20 0.44
GUCY1A2 P33402 1/20 0.44
GUCY1A1 Q02108 1/20 0.44
GUCY1B1 Q02153 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL3231934 0.95 SMN1; SMN2 (0.52) SMN1; SMN2RAB9AMAPTALDH1A1LMNA
SCHEMBL3229812 0.93 MAPT (0.51) SMN1; SMN2RAB9AMAPTALDH1A1LMNA
SCHEMBL3235305 0.91 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMAPTALDH1A1LMNA
SCHEMBL3230851 0.90 FFAR2 (0.50) SMN1; SMN2RAB9AMAPTLMNAMAPK1
SCHEMBL3235879 0.90 SMN1; SMN2 (0.52) SMN1; SMN2RAB9AMAPTALDH1A1LMNA
SCHEMBL3236498 0.89 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AMAPTALDH1A1LMNA
SCHEMBL3224931 0.88 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AMAPTALDH1A1LMNA
SCHEMBL3237560 0.88 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AMAPTALDH1A1LMNA
SCHEMBL3233720 0.88 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1GUCY1B2GUCY1A2
SCHEMBL3238456 0.87 L3MBTL1 (0.51) 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