SCHEMBL3239269

SCHEMBL3239269

CCOC(=O)C1CCN(c2nc(-c3cc(Cl)ccc3OCc3ccc(-c4ccc(C(F)(F)F)cc4C)cc3C)cs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GUCY1B2 O75343 5/20 0.39
GUCY1A2 P33402 5/20 0.39
GUCY1A1 Q02108 5/20 0.39
GUCY1B1 Q02153 5/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX12 P18054 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
SCHEMBL3263161 0.93 GUCY1B2 (0.41) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3236783 0.91 GUCY1B2 (0.43) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3236272 0.88 GUCY1B2 (0.45) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3231416 0.83 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3224928 0.83 SMN1; SMN2 (0.40) MAPTTSHRLMNANPSR1SMN1; SMN2
SCHEMBL3229937 0.82 PTGDR2 (0.41) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3233794 0.82 GUCY1B2 (0.43) LMNAALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL3236218 0.82 GUCY1B2 (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL14952899 0.81 GUCY1B2 (0.40) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3234405 0.81 NPC1 (0.43) SMN1; SMN2RAB9AGUCY1B2GUCY1A2GUCY1A1

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