SCHEMBL4576561

SCHEMBL4576561

CC(=O)Oc1cccc(OCCBr)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
CYP3A4 P08684 1/20 0.54
ACHE P22303 2/20 0.50
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NSD2 O96028 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 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
SCHEMBL9692573 0.85 KMT2A (0.61) LMNACYP3A4ACHEMTNR1AMTNR1B
SCHEMBL28660202 0.83 KMT2A (0.67) MTNR1AMTNR1BKMT2AMEN1KDM4E
SCHEMBL4276569 0.83 LMNA (0.54) LMNACYP3A4ACHEMTNR1AMTNR1B
SCHEMBL5737221 0.83 PLA2G4B (0.56) LMNACYP3A4ACHEMAPK1L3MBTL1
SCHEMBL19743595 0.83 ACHE (0.52) ACHEMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL4272535 0.82 LMNA (0.53) LMNACYP3A4ACHEMTNR1AMTNR1B
SCHEMBL1196100 0.82 PLA2G4B (0.58) LMNACYP3A4KMT2A
SCHEMBL249305 0.82 LMNA (0.76) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL17028900 0.82 LMNA (0.76) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL8155382 0.82 SMN1; SMN2 (0.50) CYP3A4MAPK1ALDH1A1SMN1; SMN2MAPT

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
EP-1939199-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed