SCHEMBL3230749

SCHEMBL3230749

Cc1sc(N2CCC(C(=O)O)CC2)nc1-c1ccccc1OCc1ccc(Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
LTA4H P09960 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
ADORA3 P0DMS8 2/20 0.37
S1PR5 Q9H228 1/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CD274 Q9NZQ7 3/20 0.36
PDCD1 Q15116 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL3233338 0.94 SMN1; SMN2 (0.41) SMN1; SMN2HPGDHSD17B10KDM4EMEN1
SCHEMBL3230733 0.91 LTA4H (0.40) SMN1; SMN2HPGDHSD17B10KDM4EMEN1
SCHEMBL3238398 0.86 SMN1; SMN2 (0.44) SMN1; SMN2HPGDMEN1ALDH1A1KMT2A
SCHEMBL3231465 0.85 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1ALOX15TP53ADORA3
SCHEMBL3233489 0.84 SMN1; SMN2 (0.44) SMN1; SMN2HPGDHSD17B10KDM4EMEN1
SCHEMBL3238099 0.84 HPGD (0.41) SMN1; SMN2HPGDHSD17B10KDM4EMEN1
SCHEMBL3230139 0.78 MAPT (0.42) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL3238419 0.78 SMN1; SMN2 (0.46) SMN1; SMN2HPGDHSD17B10KDM4EMEN1
SCHEMBL3231470 0.77 TP53 (0.48) SMN1; SMN2HPGDKDM4EMEN1ALDH1A1
SCHEMBL3235310 0.76 SMN1; SMN2 (0.42) SMN1; SMN2KMT2ATP53LTA4HS1PR5

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