SCHEMBL3626707

SCHEMBL3626707

CCOC(=O)C1CCN(c2nccc(-c3cc(C)ccc3OCc3ccc(Br)cc3C)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPK1 P28482 3/20 0.48
CCR5 P51681 1/20 0.45
GUCY1B2 O75343 2/20 0.44
GUCY1A2 P33402 2/20 0.44
GUCY1A1 Q02108 2/20 0.44
GUCY1B1 Q02153 2/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
PTPN11 Q06124 1/20 0.39
POLB P06746 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
SCHEMBL3628788 0.90 KMT2A (0.45) MEN1KMT2AMAPK1CCR5GUCY1B2
SCHEMBL7937211 0.86 GUCY1B2 (0.43) MEN1KMT2AMAPK1GUCY1B2GUCY1A2
SCHEMBL3233357 0.85 MEN1 (0.47) MEN1KMT2AMAPK1CCR5GUCY1B2
SCHEMBL3620263 0.85 GUCY1B2 (0.41) MEN1KMT2AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3622541 0.84 KDM4E (0.41) MEN1KMT2AMAPK1GUCY1B2GUCY1A2
SCHEMBL15153415 0.82 GUCY1B2 (0.49) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3624462 0.82 EPHX2 (0.40) MEN1KMT2AMAPK1GUCY1B2GUCY1A2
SCHEMBL3624510 0.82 CCR5 (0.42) MEN1KMT2AMAPK1CCR5GUCY1B2
SCHEMBL3622280 0.81 LMNA (0.41) MEN1KMT2ACCR5GUCY1B2GUCY1A2
SCHEMBL3627423 0.80 PTPN11 (0.46) MEN1KMT2AMAPK1KDM4EALDH1A1

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