SCHEMBL3622541

SCHEMBL3622541

CCOC(=O)C1CCN(c2nccc(-c3cc(C)ccc3OCc3ccc(-c4ccc(C#N)cc4C)cc3C)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
GUCY1B2 O75343 3/20 0.40
GUCY1A2 P33402 3/20 0.40
GUCY1A1 Q02108 3/20 0.40
GUCY1B1 Q02153 3/20 0.40
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RET P07949 1/20 0.37
MTOR P42345 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 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
SCHEMBL3618925 0.92 GUCY1B2 (0.44) KDM4EGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3620263 0.88 GUCY1B2 (0.41) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL3233794 0.87 GUCY1B2 (0.43) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL3628181 0.86 GUCY1B2 (0.46) KDM4EALDH1A1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3626707 0.84 MEN1 (0.48) KDM4EALDH1A1MEN1KMT2AGUCY1B2
SCHEMBL3624462 0.83 EPHX2 (0.40) KDM4EALDH1A1MEN1KMT2AGUCY1B2
SCHEMBL4005292 0.81 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3230062 0.81 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3629056 0.80 GUCY1B2 (0.45) KDM4EMEN1KMT2ALMNAGUCY1B2
SCHEMBL7937211 0.80 GUCY1B2 (0.43) KDM4EALDH1A1MEN1KMT2AGUCY1B2

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-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed