SCHEMBL7944340

SCHEMBL7944340

CCOC(=O)C1CCN(C2=NC(c3cc(C)ccc3OCc3ccc(-c4ccc(C(F)(F)F)cc4Cl)cc3C)CS2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX5 P09917 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCR5 P51681 1/20 0.34
PDK2 Q15119 1/20 0.33

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
SCHEMBL7939410 0.84 ALDH1A1 (0.38) MAPTTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL7941017 0.82 MAPK1 (0.47) MAPTTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL3236783 0.81 GUCY1B2 (0.43) SMN1; SMN2
SCHEMBL7934714 0.80 MAPT (0.36) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7940603 0.77 CD274 (0.35) MRGPRX4KMT2A
SCHEMBL3231416 0.75 GUCY1B2 (0.46)
SCHEMBL3236218 0.75 GUCY1B2 (0.38)
SCHEMBL3620263 0.75 GUCY1B2 (0.41) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7940148 0.73 CD274 (0.35) TP53SMN1; SMN2KDM4ECCR5
SCHEMBL3239269 0.73 MAPT (0.42) MAPTTP53ALDH1A1SMN1; SMN2MEN1

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