SCHEMBL7934714

SCHEMBL7934714

CCOC(=O)C1CCN(C2=NC(c3cc(C)ccc3OCc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C)CS2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
LGMN Q99538 2/20 0.36
RAB9A P51151 3/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 5/20 0.34
NPC1 O15118 2/20 0.34
MDM2 Q00987 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GLA P06280 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL7941017 0.87 MAPK1 (0.47) MAPTPOLBLGMNRAB9AMAPK1
SCHEMBL7939410 0.80 ALDH1A1 (0.38) MAPTPOLBRAB9AMAPK1ALDH1A1
SCHEMBL7944340 0.80 MAPT (0.36) MAPTPOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL3234865 0.79 GUCY1B2 (0.44)
SCHEMBL7937211 0.79 GUCY1B2 (0.43) MAPTRAB9AMAPK1ALDH1A1NPC1
SCHEMBL4000642 0.79 GUCY1B2 (0.45)
SCHEMBL7940148 0.77 CD274 (0.35) SMN1; SMN2
SCHEMBL3229753 0.72 GUCY1B2 (0.47)
SCHEMBL4000871 0.72 L3MBTL1 (0.38) ALDH1A1
SCHEMBL3998970 0.72 GUCY1B2 (0.47)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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