SCHEMBL3229812

SCHEMBL3229812

COc1cccc(-c2ccc(COc3ccccc3-c3csc(N4CCC(C(=O)O)CC4)n3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.51
LMNA P02545 8/20 0.51
ALDH1A1 P00352 8/20 0.51
MAPK1 P28482 6/20 0.51
HSD17B10 Q99714 3/20 0.51
TP53 P04637 3/20 0.51
TSHR P16473 1/20 0.51
HPGD P15428 1/20 0.50
HTT P42858 4/20 0.49
NEK2 P51955 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.45
PDE4A P27815 1/20 0.45

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
SCHEMBL3229972 0.93 SMN1; SMN2 (0.56) MAPTLMNAALDH1A1MAPK1TP53
SCHEMBL3238878 0.91 MAPT (0.49) MAPTLMNAALDH1A1MAPK1HSD17B10
SCHEMBL3231934 0.88 SMN1; SMN2 (0.52) MAPTLMNAALDH1A1MAPK1TP53
SCHEMBL3235305 0.87 SMN1; SMN2 (0.54) MAPTLMNAALDH1A1MAPK1HTT
SCHEMBL3230851 0.86 FFAR2 (0.50) MAPTLMNAMAPK1TSHRSMN1; SMN2
SCHEMBL3235879 0.86 SMN1; SMN2 (0.52) MAPTLMNAALDH1A1MAPK1HSD17B10
SCHEMBL3236498 0.85 SMN1; SMN2 (0.51) MAPTLMNAALDH1A1MAPK1TP53
SCHEMBL3224931 0.85 SMN1; SMN2 (0.51) MAPTLMNAALDH1A1MAPK1NEK2
SCHEMBL3237560 0.85 SMN1; SMN2 (0.51) MAPTLMNAALDH1A1MAPK1HSD17B10
SCHEMBL3233720 0.84 SMN1; SMN2 (0.51) SMN1; SMN2RAB9A

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 5 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
WO-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed