SCHEMBL2556736

SCHEMBL2556736

O=CC=Cc1coc2cc[c]cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
MAOB P27338 8/20 0.43
PTPN1 P18031 8/20 0.43
MAOA P21397 6/20 0.43
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTPN2 P17706 1/20 0.37
GLA P06280 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
SCHEMBL2556734 1.00 MEN1 (0.49) MEN1MAPTKMT2AMAOBPTPN1
SCHEMBL15329654 0.71 CYP3A4 (0.52) MEN1MAPTKMT2AMAOBPTPN1
SCHEMBL15329656 0.71 CYP3A4 (0.52) MEN1MAPTKMT2AMAOBPTPN1
SCHEMBL2559162 0.69 MAPT (0.57) MEN1MAPTKMT2AMAOBPTPN1
SCHEMBL2559161 0.69 MAPT (0.57) MEN1MAPTKMT2AMAOBPTPN1
SCHEMBL15332212 0.67 LMNA (0.56) MEN1MAPTKMT2AMAOBMAOA
SCHEMBL15332213 0.67 LMNA (0.56) MEN1MAPTKMT2AMAOBMAOA
SCHEMBL2554718 0.66 MEN1 (1.00) MEN1MAPTKMT2AMAOBPTPN1
SCHEMBL2554721 0.66 MEN1 (1.00) MEN1MAPTKMT2AMAOBPTPN1
SCHEMBL2556028 0.64 MAPT (0.57) MEN1MAPTKMT2AMAOBMAOA

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
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed