SCHEMBL3653995

SCHEMBL3653995

CCOC(=O)C1CCN(c2nccc(-c3cc(C(F)(F)F)ccc3O)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.47
KDM4E B2RXH2 4/20 0.47
KMT2A Q03164 4/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SYK P43405 1/20 0.43
PTPN11 Q06124 1/20 0.43
PDK2 Q15119 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL3658053 0.88 ALDH1A1 (0.48) L3MBTL1KDM4EKMT2ATSHRLMNA
SCHEMBL3627423 0.88 PTPN11 (0.46) L3MBTL1KDM4EKMT2AMEN1LMNA
SCHEMBL3626343 0.85 PTPN11 (0.52) L3MBTL1KDM4EKMT2ATSHRMEN1
SCHEMBL3997734 0.84 L3MBTL1 (0.47) L3MBTL1KDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL3231260 0.82 L3MBTL1 (0.46) L3MBTL1TSHRUSP2LMNAHTT
SCHEMBL3628788 0.82 KMT2A (0.45) L3MBTL1KDM4EKMT2ATSHRMEN1
SCHEMBL3624510 0.80 CCR5 (0.42) L3MBTL1KDM4EKMT2ATSHRMEN1
SCHEMBL3620263 0.78 GUCY1B2 (0.41) L3MBTL1KDM4EKMT2ATSHRMEN1
SCHEMBL16648680 0.77 HRH3 (0.54) L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL15578235 0.77 TSHR (0.53) KDM4EKMT2ATSHRLMNAHSD17B10

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